Professional Documents
Culture Documents
Course Notes
020917 F. Porter
(fcp/tex/ph125/ay0102/outline)
1 Introduction
This note describes the Ph 195 course, “Advanced Quantum Mechanics” and
gives some administrative information.
There is a web page for the course:
http://www.cithep.caltech.edu/ fcp/ph195/index.html
All course materials will be posted to this web page.
Quantum Mechanics is at the foundation of modern physics; a thorough
understanding is important for a practicing physicist. This is a serious course,
designed to go deeper into the concepts and techniques than the more stan-
dard course. It is a 12 unit course, reflecting the greater intensity. The
outline (below) of material to be covered is ambitious for two quarters. I
intend to remain flexible concerning both pace and subject concentration.
I hope to keep classes somewhat informal, and encourage discussion among
participants. My notion is that the notes will provide the backbone, the
classes will aid understanding, and the homework will provide depth and
practical experience. In particular, I would like to use the classes to ad-
dress questions which arise both in the reading and on the homework, and
to provide illustrative examples relevant to the discussions in the notes.
2 Course Outline
Here follows a course outline. We may change it midstream according to the
interests and background of the course participants. There will (more-or-
less) be a course note handout corresponding to each major topic heading in
the outline.
1. Introduction
(a) Units
(b) Bohr atom
(c) Basic principles
1
2. Ideas of Quantum Mechanics
8. Angular Momentum
2
(e) Breaking of rotational symmetry
10. Scattering
(a) Bosons
(b) Fermions, Pauli exclusion principle
3
Physics 195a
Course Notes
Preliminaries
020908 Frank Porter
1 Introduction
This note sets conventions and gives some handy conversions for Ph 195.
2 Units
We adopt a system of units which tends to avoid carrying cumbersome con-
stants in expressions. This has the benefit of permitting the physical mean-
ings to be more readily apparent. The downside is the need to do conversions
to “engineering” units. However, this is not a severe difficulty, as long as a
couple of conversion constants are remembered. Indeed, many practicing
physicists (and not only theorists) adopt these units in their everyday work.
Our system of units is such that Planck’s constant (over 2π), h̄ = 1, and
the speed of light in a vacuum, c = 1. Note that this implies the conversion
factors between SI (Système Internationale) units:
h 6.62
1 = h̄ = ≈ × 10−34 Js, (1)
2π 2π
1 = c ≈ 3 × 108 ms−1 . (2)
Thus, if we are given a quantity in Joules, we may convert it to inverse meters
by multiplying by
2π
. (3)
(6.62 × 10 Js)(3 × 108 )ms−1
−34
1
femtometers (or “fermis”) (fm) and energy scales in millions of electron volts
(MeV).
The above specification is not unique. The table below shows how Maxwell’s
equations, and related electromagnetic formulae appear in one choice of the
c = 1 (and h̄ = 1, as desired) units, the “Rationalized Heavyside-Lorentz”
units, in comparison with the more familiar modified (c = 1) Gaussian units.
Example: Electromagnetism
Modified Gaussian Rationalized Heavyside-Lorentz
∇ · D = 4πρ ∇·D =ρ
∇ × E = −∂t B same
∇·B =0 same
∇ × H = 4πJ + ∂t D ∇ × H = J + ∂t D
D =
E; B = µH same
E = −∇Φ − ∂t A same
B =∇×A same
F = q(E + v × B) same
Let us look at the implications of the first Maxwell equation for Coulomb’s
law between two charges, q1 and q2 . If
= 1, then in the modified Gaussian
. q2
F
.q
1
Figure 1: Force on charge q2 due to charge q1 .
2
or a force on q2 of
q1 q2
F = 2
. (5)
r12
If we repeat the exercise in rationalized Heavyside-Lorentz units, we find
q1 q1 q2
E1 (r12 ) = 2
, F = 2
. (6)
4πr12 4πr12
Consider now the electrostatic potential energy of two electrons separated
by an electron’s Compton wavelength, r = 1/m, where m is the electron
mass. We’ll measure the strength of the electromagnetic force by comparing
this energy with the electron’s mass. This strength is a dimensionless con-
stant α, known as the fine structure constant. Let K = 1 or 4π depending
on whether we are using modified Gaussian or rationalized Heavyside-Lorentz
units, respectively. Denote the electron charge by −e. Then:
V 1 1/m 1 1/m e2
α = = F · dx = dr (7)
m m ∞ m ∞ Kr 2
e2
= . (8)
K
Thus, the fine structure constant is expressed as e2 in modified Gaussian
units, and e2 /4π in rationalized Heavyside-Lorentz units. Since this is a
dimensionless constant, this may be confusing, but we can readily trace the
origin to the manner in which we wrote the first Maxwell equation. Since
the fine structure constant has a physical interpretation, it is numerically the
same independent of the units, approximately 1/137.
We will use the modified Gaussian system here, and e2 ≈ 1/137. But
be aware that quantum electrodynamics work is typically done in the other
system where we have e2 /4π ≈ 1/137.
3
Of course, we also use different scales depending on the problem, for example:
This relates the radius of curvature (ρ) which a particle of charge Q and
momentum p has in a magnetic field B. The charge unit “e” is the electron
charge. The 0.3 in the equation is more precisely the speed of light in nm/s.
4
2.3 Bohr Model of Atom
Even though the Bohr semi-classical model for the atom is incorrect (for
one thing, it would seem that the orbiting electron should radiate its energy
away), it is a handy model for estimating some general features. We consider
here the Bohr model for the 1-electron atom, with nuclear charge Ze. Let me
be the mass of the electron and mA be the mass of the nucleus. The features
are:
Ze2
V (r) = − , (17)
r
where r ≡ |x − xA |, x is the electron position, and xA is the nucleus
position.
Assuming the virial theorem is valid,
1 ∂V Ze2 1
T =
r =
=
mv 2 , (18)
2 ∂r 2r 2
where we are assuming that the motion is non-relativistic. We have
expressed the kinetic energy, T , in terms of the reduced mass,
me mA
m= ≈ me , (19)
me + mA
and the relative speed of the electron with respect to the nucleus,
v = |ve − vA |. (20)
L = |r × p| = n, n = 1, 2, 3, . . . (22)
5
This restricts the possible energy levels. Setting mvr = n, and
1 Ze2 1
E =T +V =− = − mv 2 , (23)
2 r 2
we find v = Ze2 /n = Zα/n. The non-relativistic approximation is
self-consistent if
α
Z 1. (24)
n
In particular, the ground state energy for hydrogen in this model is
1
E = − (0.511 × 106 eV)/(137)2
2
= −13.6 eV. (25)
This agrees nicely with experiment! Also, v = α = 1/137 in the ground
state, and r = n2 /mα leads to a ground state radius of
1 137
r = =
mα m
137
= 200 MeV-fm 10−5 Å/fm ≈ 0.5 Angstrom. (26)
0.511 MeV
However, the orbital angular momentum in the ground state is L = 1
in this model, and that is ultimately not correct.
We notice that the quantities of interest can be described in terms of the
“coupling strength” α = e2 and the reduced mass m ≈ me . In other words,
we have only one “scale” in the problem: me . In addition to this scale,
much of atomic physics is then describable in terms of three dimensionless
parameters:
1. α (strength of the interaction)
2. Z (number of protons in the nucleus)
3. me /mA (corrections for finite mass of nucleus).
Note that, if mN is the nucleon (proton, neutron) mass, me /mN ≈ 0.511/940 ∼
1/2000 This is a small number. Hence, the nucleus is essentially at rest in
the atom’s rest frame, since pA = −pe gives mA vA = −me ve , and thus
me
|vA | = |ve |. (27)
mA
6
3 Exercises
1. We have reviewed the Bohr atom briefly. This atom is held together
by electromagnetism. We may consider the very similar problem of a
gravitationally bound “Bohr atom”. Part of the point of this problem is
to give you some practice making calculations with our simple h̄ = c = 1
units, so I hope you will attempt your calculations in this spirit. The
gravitational potential between two objects of masses m1 and m2 is
Gm1 m2
V =− ,
r
where r = |rr1 − r2 |, and
is Newton’s constant.
(a) With the same quantization condition as for Bohr’s atom, find
the formulas for the energy levels, relative velocities, and relative
separations, for a “gravity atom”. Let n be the quantum level
(i.e., n = 1, 2, 3, . . . is the orbital angular momentum).
(b) Find n for the earth-sun system. Is quantum mechanics important
here?
(c) What would r be for the ground state of the earth-sun system
(give answer in meters)?
(d) Consider a gravitationally bound system of two neutrons, where
we suppose that we have “turned off” other potentially important
interactions (such as the strong interaction). What is the ground
state energy (in GeV) and the ground state separation (in meters)
for this system? Is gravity important compared with other forces
for a real system of two neutrons in a real ground state?
(e) Gravity may be important in a quantum mechanical system if the
interaction potential is comparable with other forces. For exam-
ple, the electromagnetic strength is characterized by e2 = α =
1/137, and the strong interaction (though not strictly Coulom-
bic), is characterized by a larger number, αs ≈ 1. Supposing we
7
have a system of two equal masses, determine the mass (in GeV),
such that the corresponding gravitational interaction strength is
equal to one. That is, the potential energy should be given sim-
ply by 1/r (cf., V = e2 /r for two electrons in electromagnetism).
[This mass has a name; do you know what it is?]
8
as long as we didn’t push the model too hard. Let’s play with an-
other, wrong, model, in this problem, the “plum pudding” model of
J.J. Thomson. In this model, the atomic electrons are embedded in
a region of neutralizing positive charge. We assume that, within the
radius of the atom, the positive charge is uniformly distributed. We
consider an atom with atomic number Z, but which has been ion-
ized such that only one electron remains. A simple calculation with
Maxwell’s divergence equation yields that the electric field inside the
atom, due to the positive charge distribution, is linear in radius. The
force on the electron can therefore be written as:
Fr = −eEr = −αkr,
(a) Write down the Hamiltonian for the electron in this “atom”, mak-
ing sure you define any quantities not already defined above. As-
sume that any contribution from radii greater than R may be
neglected.
(b) Assuming circular orbits, use the Bohr quantization condition on
angular momentum to derive the allowed energy spectrum.
(c) For the hydrogen atom, the ground state energy is -13.6 eV. Note
that we have to be a bit careful now in discussing the energy, since
we need to know where we our reference (zero) is. Also, our for-
mula for the spectrum in part (b) must have a cut-off somewhere
due to the finite atom size. However, we’ll circumvent the com-
plication here by considering the difference between the ground
state and the first excited state, which for hydrogen is about 10
eV. Using this fact, determine the radius of the ground state orbit,
expressing your answer in Å to one significant digit.
[We really ought to check that your answer to part (c) is consistent
with the model, i.e., whether the radius obtained is less than R
or not. But I’ll leave this to your own amusement.]
9
Physics 195a
Course Notes
Preliminaries – Solutions to Exercises
021003 Frank Porter
1 Exercises
1. We have reviewed the Bohr atom briefly. This atom is held together
by electromagnetism. We may consider the very similar problem of a
gravitationally bound “Bohr atom”. Part of the point of this problem is
to give you some practice making calculations with our simple h̄ = c = 1
units, so I hope you will attempt your calculations in this spirit. The
gravitational potential between two objects of masses m1 and m2 is
Gm1 m2
V =− ,
r
where r = |rr1 − r2 |, and
GN = 6.67 × 10−11 m3 kg−1 s−2 , (1)
= 6.71 × 10−39 GeV−2 , (2)
is Newton’s constant.
(a) With the same quantization condition as for Bohr’s atom, find
the formulas for the energy levels, relative velocities, and relative
separations, for a “gravity atom”. Let n be the quantum level
(i.e., n = 1, 2, 3, . . . is the orbital angular momentum).
Solution: First, let us write:
−GmM
V = ,
r
where M = m1 + m2 and m is the reduced mass. The virial
theorem argument gives, for a circular orbit,
1 1 GmM 1
T =− V = = mv 2 ,
2 2 r 2
where v is the relative speed and non-relativistic motion is as-
sumed (but should be checked!). Now we set mvr = n, and see
what this implies. The energy is:
1 GMm 1
E =T +V =− = − mv 2 ,
2 r 2
1
and thus
n2 1
r = (3)
GMm m
GMm
v = (4)
n
1 GMm 2
E = − m. (5)
2 n
2πr 2 n
rv = = , (6)
T m
or
2πmr 2
n =
T
6 × 1027 (g)[0.511(MeV)/(9.11 × 10−28 (g)]2.25 × 1052 (fm-fm)
= 2π
π107 (s)3 × 1023 (fm/s)200(MeV-fm)
2 × 6 × .511 × 2.25 27+28+52−7−23−2
= 10
9.11 × 3 × 2
≈ 2 × 1074 . (7)
The levels for such high values of n are extremely closely spaced,
hence the “quantumness” is essentially invisible.
(c) What would r be for the ground state of the earth-sun system
(give answer in meters)?
Solution: Since r ∝ n2 , and r = 1.5 × 1026 fm for n = 2 × 1074 ,
we have for n = 1:
1.5 × 1026
r1 = fm ≈ 4 × 10−123 fm, (8)
4 × 10148
a very small distance indeed!
2
(d) Consider a gravitationally bound system of two neutrons, where
we suppose that we have “turned off” other potentially important
interactions (such as the strong interaction). What is the ground
state energy (in GeV) and the ground state separation (in meters)
for this system? Is gravity important compared with other forces
for a real system of two neutrons in a real ground state?
Solution: We’ll approximate the mass of the neutron as mn = 1
GeV for this exercise. The reduced mass is m = 1/2mn and the
total mass is M = 2mn . The ground state energy corresponds to
n = 1 in this model:
1 m2 m 1
E1 = − G2 (2m)2 = − G2 m5 . (9)
2 2 2 4
Newton’s constant is, approximately,
Thus,
E1 ≈ −10−77 GeV. (11)
The ground state separation between the two neutrons in this
model is
2 2 × (200 MeV-fm) × (10−15 m/fm
r1 ≈ ≈ ≈ 6 × 1022 m.
Gm3 (6.7 × 10−39 GeV) × (103 MeV/GeV)
(12)
Nuclear sizes are of order 1 fm, and nuclear binding energies are
of order MeV (e.g., the binding energy of the deuteron is approxi-
mately 2 MeV). It appears that gravity is unimportant compared
with the strong interaction (at least) for a system of two neutrons
which are not far apart.
(e) Gravity may be important in a quantum mechanical system if the
interaction potential is comparable with other forces. For exam-
ple, the electromagnetic strength is characterized by e2 = α =
1/137, and the strong interaction (though not strictly Coulom-
bic), is characterized by a larger number, αs ≈ 1. Supposing we
have a system of two equal masses, determine the mass (in GeV),
such that the corresponding gravitational interaction strength is
3
equal to one. That is, the potential energy should be given sim-
ply by 1/r (cf., V = e2 /r for two electrons in electromagnetism).
[This mass has a name; do you know what it is?]
Solution: We wish to find the mass MP such that
1 GMP2
|V (r)| = = . (13)
r r
Hence, the “Planck mass” is
1 1
MP = √ = ≈ 1019 GeV. (14)
G 6.7 × 10−39 GeV−2
(b) Classical resonances: Let us probe a bit what this “width” means,
and what it has to do with decay rate. We’ll start with a classical
example: Consider a damped, driven harmonic oscillator:
4
Solution: The square of the amplitude is interesting because it
is proportional to the stored energy. The general solution to the
motion is the sum of the solution to the homogeneous equation
plus a particular solution to the inhomogeneous equation. Because
the solution to the homogeneous equation is transient (due to the
damping term), we need only concern ourselves with a particular
solution, for which we take:
x(t) = A cos(ωt + φ). (16)
We substitute this into the differential equation, obtaining:
−ω 2 A cos(ωt + φ) − ΓωA sin(ωt + φ) + ω02 A cos(ωt + φ) = cos ωt.
(17)
We may evaluate this at ωt + φ = 0,
−A(ω 2 − ω02) = cos φ, (18)
and at ωt + φ = π/2,
−AΓω = sin φ. (19)
Using sin2 φ + cos2 φ = 1, we thus find
1
A2 = . (20)
(ω 2 − ω02 )2 + ω 2 Γ2
(c) In the limit of a narrow resonance, what is the full width at half
maximum of the distribution you found in part b.
Solution: The peak of the distribution is at
d(1/A2)
= 0 = 2(ω 2 − ω02) + Γ2 , (21)
dω 2
or ω 2 = ω02 − Γ2 /2. The value of A2 at the peak is therefore
1 1
A2max = 2 2 ≈ 2 2, (22)
Γ (ω0 − Γ /4)
2 ω0 Γ
the approximation being in the “narrow resonance” limit, ω0 Γ.
Thus, the amplitude at half-maximum is
1 1 1
2
= 2 , (23)
2 Γ (ω0 − Γ /4)
2 2 (ωh − omega20 )2 + ωh2 Γ2
5
where ωh are the frequencies at half maximum. Taking the inverse
of both sides, we obtain a quadratic equation in ωh2 − ω02 , with
solution
Γ2
2 2
ωh − ω0 = −1 + (2ω0 /Γ) − 1 .
2 (24)
2
In the narrow resonance limit, we find that FWHM= Γ.
(d) Now suppose the driving force is turned off. How does the energy
stored in the oscillator change with time? Find the “lifetime” of
this oscillator. In this classical example, I mean the time it takes
for the oscillator to reach e−1 of its original energy. Your answer
should be very simply related to your answer for part c).
Solution: Once the driving force is removed, the oscillations
damp down according to the solution to the homogeneous equa-
tion:
−Γt/2 2
x(t) = Ae cos ω0 − Γ /4 t .
2 (25)
3. The Bohr model for the atom, while wrong, gave some remarkable
agreement with experiment, and a means of estimating atomic scales
as long as we didn’t push the model too hard. Let’s play with an-
other, wrong, model, in this problem, the “plum pudding” model of
J.J. Thomson. In this model, the atomic electrons are embedded in
a region of neutralizing positive charge. We assume that, within the
radius of the atom, the positive charge is uniformly distributed. We
consider an atom with atomic number Z, but which has been ion-
ized such that only one electron remains. A simple calculation with
Maxwell’s divergence equation yields that the electric field inside the
atom, due to the positive charge distribution, is linear in radius. The
force on the electron can therefore be written as:
Fr = −eEr = −αkr,
6
(a) Write down the Hamiltonian for the electron in this “atom”, mak-
ing sure you define any quantities not already defined above. As-
sume that any contribution from radii greater than R may be
neglected.
Solution: Let m be the reduced mass of the electron-postive
charge system, and p be the relative momentum vector with mag-
nitude p = mv. The Hamiltonian is:
p2 1
H= + αkr 2 .
2m 2
L = mvr = n,
And finally:
αk
En = n ,
m
where n = 1, 2, . . .
(c) For the hydrogen atom, the ground state energy is -13.6 eV. Note
that we have to be a bit careful now in discussing the energy, since
7
we need to know where we our reference (zero) is. Also, our for-
mula for the spectrum in part (b) must have a cut-off somewhere
due to the finite atom size. However, we’ll circumvent the com-
plication here by considering the difference between the ground
state and the first excited state, which for hydrogen is about 10
eV. Using this fact, determine the radius of the ground state orbit,
expressing your answer in Å to one significant digit.
[We really ought to check that your answer to part (c) is consistent
with the model, i.e., whether the radius obtained is less than R
or not. But I’ll leave this to your own amusement.]
Solution: The ground state radius, r0 , in tems of this energy
difference, ∆ = αk/m = 10 eV, is:
1
r0 =
∆m
1
= (106 eV/MeV)(200 MeV fm)(10−5 Å/fm)
(10 eV)(0.5 Mev)
= 0.9 Å
8
Physics 195a
Course Notes
Ideas of Quantum Mechanics
021024 F. Porter
1 Introduction
This note summarizes and examines the foundations of quantum mechanics,
including the mathematical background.
1
now it should just be a reminder of your elementary quantum mechanics un-
derstanding. We must be content with selecting a suitable set of quantities
which can be simultaneously specified to describe the state. We refer to this
set as a “Complete Set of Commuting Observables” (CSCO).
Specifying a CSCO corresponds to specifying the eigenvalues of an ap-
propriate complete set of commuting Hermitian operators, for the state in
question. Measurements (eigenvalues of Hermitian operators) of other quan-
tities cannot be predicted with certainty, only probabilities of outcomes can
be given. The evolution in time of the system is described by a “wave equa-
tion”, for example, the Schrödinger equation.
where ψ stands for the amplitude. More explicitly, the probability of ob-
serving state variable (e.g., position) x in volume element d3 (x) around x is
equal to:
|ψ(x)|2 d3 (x). (5)
A quantum mechanical probability is analogous to the intensity of a classical
wave.
The quantum mechanical wave evolves in time according to a time evo-
lution operator, e−iHt involving the Hamiltonian, H. Hence, if
2
E, the frequency is ω = E (or ν = E/2π). This hypothesis is also applied in
relativistic situations, for example, for a photon.
The spatial behavior of a wave is given by the deBroglie hypothesis:
A particle is described as a quantum mechanical wave with wavelength:
λ 1
λ̄ ≡ = , (8)
2π p
ω = k 2 /2m (9)
for a non-relativistic particle (when we do not include the rest mass in the
energy, hence E = p2 /2m), and
ω 2 = k 2 + m2 (10)
3
describe the particle. We shall postulate this to be our wave equation. As we
saw above, the dispersion equation for a (possibly relativistic) free particle is
E 2 − p2 = m2 , (12)
or
ω 2 − k 2 = m2 . (13)
Considering the following derivatives of the plane waves
∂ 2 ψ(x, t)
= −ω 2 ψ(x, t), (14)
∂t2
we have
∂2ψ
− ∇2 ψ = −m2 ψ. (16)
∂t2
We have already seen that these assumptions are reasonable for ordinary
atomic systems.
In non-relativistic quantum mechanics (Schrödinger theory) the wave
function ψ(x, t) really has the precise meaning:
4
The probability that a measurement of the particle’s position at
time t will yield x in d3 (x) around x is:
Note that ψ(x, t) and ψ (x, t) = eiθ ψ(x, t), where θ is a real number, de-
scribe the same physical situation, since the probability density is unchanged
[where we make the inherent assumption that it is probabilities we can mea-
sure, not probability amplitudes].
Let us take the non-relativistic limit of our free particle wave equation:
E = m2 + p2
3
p2 p
= m+ + pO . (18)
2m m
Hence,
ψ(x, t) = Aei(p·x−Et)
p2
≈ Aei(p·x− 2m t) e−imt (19)
≈ ψS (x, t)e−imt ,
where
p2
ψS (x, t) ≡ ei(p·x− 2m t) . (20)
But |ψ(x, t)|2 = |ψS (x, t)|2 , so we may drop the overall e−imt phase factor and
look for a linear differential equation satisfied by our non-relativistic plane
wave solutions (dropping the S subscript now). We have
∂ψ p2
= −i ψ, (21)
∂t 2m
∇2 ψ = −p2 ψ. (22)
Thus,
∂ψ 1 2
i =− ∇ ψ. (23)
∂t 2m
This is the Schrödinger equation for a free particle of mass m. Note the
correspondence with the dispersion relation, Eq. 9.
5
In the non-relativistic case, it is easy to generalize to situations where
the particle is not free: Introduce a potential function, V (x, t) to describe
interactions. Our hypothesis is that the time dependence of the wave is
determined by ω = E. With V = 0, this gives
p2
E =T +V = + V (x, t). (24)
2m
Thus,
∂ψ ∂
i = i exp [i(p · x − Et)]
∂t ∂t
= Eψ
= Hψ, (25)
3 Mathematical Considerations
Let us take a step back now, and set up a more rigorous mathematical frame-
work in which to implement the notions we have been discussing. It is a
highly reassuring feature of quantum mechanics that we are able to do so.
We have decided to describe particles by “waves”, giving “probability am-
plitudes”, where absolute squares lead to measurable physical probabilities.
6
Waves are conveniently described by complex-valued functions of whatever
generalized coordinates are involved. An essential feature is that waves in-
terfere, hence our state space must allow for the possibility of superposition
of waves.
• The requirement of superposability suggests that the state space of
permissible wave functions should be a vector space. This gives us the
property that linear combinations of physical amplitudes lead to new
physically allowed amplitudes.
7
The mathematical considerations here are both critical to the foundation
of quantum mechanics and potentially unfamiliar to the reader, so we will
digress briefly in order to develop an intuitive understanding of the need for
them.
Apparently, it is important to know how to measure the sizes of sets
in our probability sample space. This is implemented abstractly in measure
theory. We will not develop this here; a couple of examples should provide the
intuition that is sufficient for present purposes. For a first example, suppose
our sample space is the set of real numbers, R1 . In this case, the appropriate
way to measure sizes of sets is a suitable generalization of our ordinary notion
that the size of the interval (a, b) is just b − a. This generalization is called
the Lebesgue measure on R1 . It has the property that a denumerable set
of discrete points is measureable, with measure zero.
We remark that the Reimann integral is not sufficiently general for our
purposes. A function f (x) is Riemann-integrable on [a, b] if and only if:
• f (x) is bounded.
8
Choose a point yi in each interval. Consider the sets f −1 (∆yi ). Multiply the
measure of each such set by the corresponding yi. Then sum the products.
The Lebesgue integral is the value of this sum in the limit where all of the
∆yi intervals vanish.
f(x) f(x)
y
6
y
5
y
∆y 4 {
3 y
3
y
2
y
1
a ... x x
{
{
b a b
∆x ∆x ... f -1(∆ y3)
1 2
(a) (b)
Figure 1: (a) The Riemann integral is a limit of slices in x. (b) The Lebesgue
integral is a limit of slices in y.
IL ≡ lim yi µ[f −1 (∆yi )]. (33)
∆yi →0
i
For this to work, f −1 (∆yi ) must be measurable sets, that is, f (x) must
be a “measurable functon”:
Def: A real function f (x), defined on S is said to be measurable if, for
every real number u, the set Su = {x : f (x) < u, x ∈ S} is measurable.
For example, consider the function of Eqn. 31. Take, in the limit, y1 = 0 and
y2 = 1. Then
f −1 (∆y1 ) = rational numbers
f −1 (∆y2 ) = irrational numbers, (34)
9
f(x)
u
Su
Figure 2: The set Su .
and
Hence, 1
f (x) µ(dx) = 1 (36)
0
is the Lebesgue integral.
The choice of measure (of the size of a set) may depend on the physical
circumstance. We have used the Lebesgue measure on R1 , appropriate to
continuous state variables. Another important measure is the Dirac measure
(on S = R1 ): Let x0 ∈ R1 . The Dirac measure associated with point x0 is
defined by:
1 if x0 ∈ E
µ(E) = (37)
0 if x0 ∈/ E.
10
Note that this is the appropriate measure to use for “discrete” state variables:
f (x) µ(dx) = f (x0 ). (38)
S
We are still trying to build a suitable function space for our quantum
mechanical wave functions. What about “pathological” functions, e.g., with
many discontinuities. We will build into our space the concept that two
functions that differ only in ways which will not affect observable probabilities
are not to be considered as distinct. We proceed as follows:
Def: Two functions f1 (x), f2 (x), defined on S (that is, assume finite values
at every point of S) are said to be equivalent if f1 (x) = f2 (x) almost
everywhere: f1 ∼ f2 .
11
Proof: Suppose f (x) = f1 (x) + if2 (x) is summable on E. Then f1 and f2
are summable on E. By virtue of our defintion of the integral, Eqn. 33,
|f1 | and |f2 | are therefore also summable. Hence,
|f (x)|µ(dx) = |f1 (x) + if2 (x)|µ(dx)
E E
≤ |f1 (x)| + |f2 (x)|µ(dx), by the triangle inequality
E
< ∞. (42)
f (x)µ(dx)
≤ |f (x)|µ(dx)
E E
< ∞. (43)
Even for complex functions, the integral defines a linear functional. Let
L denote the space of complex functions f (x) such that |f (x)|2 is summable
on S:
|f (x)|2µ(dx) < ∞, for f (x) ∈ L. (44)
S
Proof: The principal step of the proof is as follows: Suppose f (x) ∈ L and
g(x) ∈ L. Then
But 2|f (x)|2 + 2|g(x)|2 is summable, and hence |f (x) + g(x)|2 is sum-
mable.
The space L is our candidate space for physical quantum mechanical wave
functions. However, there is a problem with it: There are distinct elements
of L, differing on sets of measure zero, which correspond to the same physics.
Let us tidy this ugliness up. Consider Z the subset of L consisting of functions
f (x) such that
|f (x)|2 µ(dx) = 0. (46)
S
12
Note that Z is a linear subspace of L, since if f ∈ Z, then kf ∈ Z for
all complex constants k, and if f, g ∈ Z, then f + g ∈ Z since |f + g|2 ≤
2|f |2 + 2|g|2. Thus, we can define the “factor space”,
L2 = L/Z. (47)
That is, two functions fa (x), fb (x) in L determine the same class in L2 if and
only if the difference fa − fb vanishes almost everywhere, i.e.,
|fa (x) − fb (x)|2 µ(dx) = 0. (48)
S
We say that the space L2 consists of functions f (x) such that |f (x)|2 is
summable on S, with the understanding that equivalent functions are not
considered distinct. In other words, L2 is a space of equivalence classes.
Finally, we add to this space the notion of a scalar product. We start by
noting that the product of two elements of L2 is summable:
Theorem: If f, g ∈ L2 , then f ∗ g is summable on S.
Proof: Write
1
f ∗g = |f + g|2 − |f − g|2 + i|f − ig|2 − i|f + ig|2 (49)
4
Each term on the right is summable, and hence the product f ∗ g ∈ L2 .
Proof: The proof starts by showing that L2 is a pre-Hilbert space, that is,
a linear space upon which a scalar product has been properly defined.
This consists in showing that:
13
Once it has been demonstrated that L2 is a pre-Hilbert space, it remains
to show that L2 is complete. That is, it must be shown that every
Cauchy sequence of vectors in L2 converges to a vector in L2 .
14
Theorem: The space L2 (a, b) (where it is permissible for a = −∞, b = ∞)
with Lebesgue measure is separable.
Proof: To prove this theorem, we first prove that there exists a complete
denumerable orthonormal basis in L2 . For example, on L2 (0, 2π), the
set of functions:
eikx
√ , k = 0, ±1, ±2, . . . , (52)
2π
forms a complete orthonormal system. Then we show that from this
basis we can construct a countable dense set of vectors in L2 .
4 Observables
An observable Q is a physical quantity. In quantum mechanics, we deal
with the probability p(Q, ∆) that a measurement will yield a value of Q in
a subset ∆ of the set of real numbers. A fundamental postulate of quantum
mechanics is that:
Every observable corresponds to a self-adjoint
operator defined in HS .
The term “defined in HS ” means, for operator Q, that x ∈ DQ ⊂ HS , and
Qx ∈ RQ ⊂ HS , where DQ is the domain of the operator, and RQ is its
range.
Self-adjoint operators are evidently an important class of operator – the
key point is that a self-adjoint operator is also a Hermitian operator, and
hence has a real eigenvalue spectrum. This is the physical reason why they
are of interest. Let us look at some of the mathematical aspects.
15
Def: (Adjoint) Let L be a linear operator, defined in HS with domain DL ,
such that DL is dense in HS (that is, D̄L = HS , where D̄L is the closure
of DL ). The adjoint, L† , of L is defined by:1
u|Lv = u† Lv (57)
Lu|v = (Lu)† v (58)
= u† L† v
= u† Lv if L† = L. (59)
1
There are a variety of notations used to denote the adjoint of an operator, most
notably L† , L+ , and L∗ . We’ll adopt the “dagger” notation here, as it is consistent
with the familiar “complex-conjugate–transpose” notation for matrices. The “asterisk”
notation is common also, but we avoid it here on the grounds of potential confusion with
simple complex conjugation.
16
In this case, a self-adjoint operator is also a Hermitian operator:
The u∗ (b)v(b) − u∗ (a)v(a) boundary term portion of Eqn. 63 must vanish for
all v ∈ Dp in order for p to be a Hermitian operator; hence we shall assume
this condition. There is, however, more than one way to achieve this, even
with the dense requirement. For example, we could impose the boundary
condition v(a) = v(b) = 0, so that Dp = {v|v is continuous, and v(a) =
v(b) = 0}. In this case, u need not satisfy any constraints at a or b, and
17
Dp+ = {u|u is continuous} = Dp , since
1 d
p+ u|v = u|pv = u|v, (65)
i dx
for all continuous functions u. We have p† = 1i dxd
with Dp† = {u|u continu-
ous on [a, b]}. So, p is Hermitian, but not self-adjoint, since Dp is a proper
subset of Dp† .
On the other hand, if we had chosen the extension of the above p with
boundary condition v(a) = v(b), then we would find a restriction of the above
p† , with Dp† = {u|u(a) = u(b), u continuous on [a, b]}. With this definition
p is a self-adjoint operator.
Proof: One way to prove the Schwarz inequality is to consider the non-
negative definite scalar product:
Expanding the left hand side results a quadratic expression for r. Con-
sidering the possible solutions for r yields a constraint on the discrim-
inant. The resulting inequality is the Schwarz inequality.
18
where we assume that ψ is normalized. Likewise, the mean of observable B is
B = ψ|Bψ. We are presently interested in learning something about the
spreads of the distributions of observations of A and B. Thus, it is convenient
to subtract out the means by defining “shifted” operators:
AS ≡ A − A (69)
BS ≡ B − B. (70)
The domains of the shifted operators are the same as the domains of the
unshifted operators. We immediately have that AS = BS = 0.
Define the commutator of AS and BS :
19
that, if we have two non-commuting observables, the product of the variances
of the probability distributions for these two observables is bounded below.
This is typically interpreted further with statements such as “the ability to
measure both variables simulataneously is limited. A measurement of one
observable disturbs the system in a way that affects the result of a second
measurement of the other observable.” While there is some justification for
such statements, one must be careful not to carry them too far – in case
of confusion, come back to what the principle actually says! For example,
“the ability to measure” carries a connotation that there may be an issue
of experimental resolution involved. While expermental resolution generally
needs to be folded into the analysis of an actual experiment, it has nothing
to do with the present point.
20
where the algebra between Eqns. 79 and 80 is left as an exercise for the
reader. The reader is also encouraged to demonstrate that
Eαβ,mn ≡ 4αjm 4βjn − 4αjn 4βjm = 4αjβ 4mjn . (81)
With the identity of Eqn. 81, we obtain
[Lα , Lβ ] = i4αβγ Lγ . (82)
Thus, the uncertainty relation between components of angular momentum
is:
1 1
∆Lα ∆Lβ ≥ |[Lα , Lβ ]| = |4αβγ Lγ |. (83)
2 2
Let us illustrate this with an explicit example. We first anticipate the
generalization of angular momentum to include spin, with the same com-
mutation relations, and consider the simplest system with non-zero angular
momentum, spin-1/2. We’ll follow common convention, and pick our basis
to be eignevectors of J3 (using now J to indicate angular momentum, leaving
L to stand for “orbital” angular momentum). We again anticipate the quan-
tization of spin, where the eigenvalues of J3 are ±1/2 for a spin-1/2 system.
In this basis, our angular momentum operator is:
1
J = σ, (84)
2
where σ are the Pauli matrices:
0 1 0 −i 1 0
σ1 = , σ2 = , σ3 = . (85)
1 0 i 0 0 −1
These are Hermitian matrices, hence correspond to observables.
Suppose, in this basis, we have the state
1 1
ψ=√ , (86)
2 1
which is a superposition of J3 = ±1/2 eigenstates. We may compute expec-
tation values of angular momentum for this state:
1 0 1 1 1
J1 = (1, 1) = (87)
4 1 0 1 2
1 0 −i 1
J2 = (1, 1) =0 (88)
4 i 0 1
1 1 0 1
J3 = (1, 1) = 0. (89)
4 0 −1 1
21
To obtain the second moments, we notice that σi2 = 1, i = 1, 2, 3. Thus,
1
Ji2 = , i = 1, 2, 3, (90)
4
hence
2
2 1 1
(∆J1 ) = J12
− J1 = −2
= 0, (91)
4 2
1 1
(∆J2 )2 = −0 = , (92)
4 4
1 1
(∆J3 )2 = −0 = . (93)
4 4
Let us check the uncertainty relation involving J1 and J2 :
1 1
∆J1 ∆J2 = 0 · = 0 ≥ |J3 | = 0. (94)
2 2
So this relation is satisfied. Physically, it may readily be seen that our state is
actually an eigenstate of J1 with eigenvalue 1/2. It is a superposition of J2 =
± 12 eigenstates. Even though our lower bound on the product of uncertainties
is zero, and is achieved, we cannot measure J1 and J2 simultaneously with
arbitrary precision. As soon as we know J1 = 1/2, a measurement of J2
will yield ±1/2 with equal probability. Alternatively, if we first measure J2 ,
obtaining a value of either 1/2 or −1/2, a subsequent measurement of J1 will
yield ±1/2 with equal probability. The measurement of J2 has disturbed the
state.
It should perhaps be remarked that the term “precision” here is in the
frequency sense: Imagine that you can prepare the identical state many times
and repeat the measurements. The measurements will yield different results
among the samplings, with expectation values as we have calculated, in the
limit of averaging over an infinite number of samplings.
Finally, let us also look at:
1 1 1 1 1
∆J2 ∆J3 = · = ≥ |J1 | = . (95)
2 2 4 2 4
Again, the uncertainty principle is satisfied.
22
6 Exercises
1. Show that L2 is complete.
[Pm , Xn ] = −iδmn ,
[Pm , Pn ] = 0,
[Xm , Xn ] = 0.
23
Q = T QT −1
T iT −1 = −i.
KzK −1 = z ∗ ,
for any complex number z, we require that T on any state yields
another state in the Hilbert space. We can argue that (for you
to think about) we can write: T = UK, where U is a unitary
transformation. If we operate twice on a state with T , then we
should restore the original state, up to a phase:
T 2 = η1,
where η is a pure phase factor (modulus = 1).
(b) Prove that η = ±1. Hence, T 2 = ±1. Which phase applies in any
given physical situation depends on the nature of U, and will turn
out to have something to do with spin, as we shall examine in the
future.
24
Note that we might have attempted a definition of this transformation
with an additional introduction of some overall phase factor. However,
it is our interest to define such operators as simply as possible, consis-
tent with what should give a valid classical correspondence. Whether
we have succeeded in preserving the appropriate classical limit must be
checked, of course.
Consider a free particle of mass m. The momentum space wave function
is
ˆ itp2
ψ̂(p
p, t) = f (p
p) exp − , (97)
2m
where p = |pp|. The configuration space wave function is related by the
(inverse) Fourier transform:
1
ψ(xx, t) = p)eix·p ψ̂(p
d3 (p p, t). (98)
(2π)3/2 (∞)
(a) Translation by x0 : T (xx0 ) (note that we have already seen the result
in configuration space).
(b) Translation by time t0 : M(t0 ).
(c) Velocity boost by v0 : V (vv0 ). (Hint: first find
ψ̂ (p
p, 0) = fˆ (p
p) = V (vv0 )fˆ(p
p), (99)
then
2 /2m
ψ̂ (p
p, t) = fˆ (p
p)e−itp , (100)
etc.)
(d) Rotation about the origin given by 3 × 3 matrix R: U(R).
Make sure your answers make sense to you in terms of classical corre-
spondence.
8. Consider the (real) vector space of real continuous functions with con-
tinuous first derivatives in the closed interval [0, 1]. Which of the fol-
lowing defines a scalar product?
25
1
(a) f |g = 0f (x)g (x)dx + f (0)g(0)
1
(b) f |g = 0f (x)g (x)dx
Cx = a,
C(x1 , x2 , . . .) = (0, x1 , x2 , . . .)
Is C:
Now answer the same questions for the operator defined by:
26
trivial vector (f ∼ 0) which is orthogonal to all of the functions
sin(nx), cos(nx), n = 0, 1, 2, . . ., show that any vector f may be
expanded as:
∞
f (x) = (an cos nx + bn sin nx) , (103)
n=0
where
1 π
a0 = f (x)dx (104)
2π −π
1 π
an = f (x) cos nxdx (n > 0) (105)
π −π
1π
bn = f (x) sin nxdx. (106)
π −π
27
(d) Obviously, the maximum value of f (x), defined in part (b), is 1.
If the value you found for the series expansion is different from 1,
comment on the possible reconciliation of this difference with the
theorem you demonstrated in part (a).
11. Show that, with a suitable measure, any summation over discrete in-
dices may be written as a Lebesgue integral:
∞
f (xn ) = f (x)µ(dx). (110)
n=1 {x}
(a) Assume that the amplitude for the atom to be in state E1 is given
by the damped oscillatory form:
t
ψ(t) = ψ0 e−iω0 t− 2τ
dψ(t) i
i = (ω0 − ) ψ(t)
dt 2τ
Suppose we add a sinusoidal “driving force” F e−iωt on the right
hand side, to describe the situation where we illuminate the atom
with monochromatic light of frequency ω. Solve the resulting in-
homogeneous equation for its steady state solution.
28
(c) Convince yourself (e.g., by “conservation of probability”) that the
intensity of the radiation emitted by the atom in this steady-state
situation is just | ψ(t) |2 . Thus, the incident radiation is “scat-
tered” by our atom, with the amount of scattering proportional
to the emitted radiation intensity in the steady state. Give an
expression for the amount of radiation scattered (per unit time,
per unit amplitude of the incident radiation), as a function of
ω. For convenience, normalize your expression to the amount of
scattering at ω = ω0 . Determine the full-width at half maximum
(FWHM) of this function of ω, and relate to the lifetime τ .
Note that the “Breit-Wigner” function is just the Cauchy distribution
in probability.
13. Time Reversal in Quantum Mechanics, Part II
We earlier showed that the time reversal operator, T , could be written
in the form:
T = UK,
where K is the complex conjugation operator and U is a unitary oper-
ator. We also found that
T 2 = ±1.
Consider a spinless, structureless particle. All kinematic operators for
such a particle may be written in terms of the X 8 and P8 operators,
where
[Pj , Xk ] = −iδjk
T XT8 −1 = X 8
T P8 T −1 = −P8
(where the latter two equations follow simply from classical correspon-
dence).
8 the eigenvalues
If we work in a basis consisting of the eigenvectors of X,
are simply the real position vectors, and hence:
8 −1 = X.
U XU 8
P8 = −i∇
8 :
29
8x1 | P8 | 8x2 = 8 x )δ (3) (8x − 8x2 )d(3) 8x
δ (3) (8x − 8x1 )(−i∇
(∞)
8 x1 δ (3) (8x1 − 8x2 ).
= −i∇
K P8 K −1 = −P8 ,
U = 1eiθ ,
(a) Show that, for a spin 1/2 particle, we may in the Pauli representa-
tion (that is, an angular momentum basis for our spin-1/2 system
such that the angular momentum operators are given by one-half
the Pauli matrices) write:
T = σ2 K,
30
(b) Show the following useful general property of an antiunitary op-
erator such as T :
Let
|ψ = T |ψ
|φ = T |φ.
Then
ψ |φ = φ|ψ.
This, of course, should agree nicely with your intuition about what
time reversal should do to this kind of scalar product.
(c) Show that, if |ψ is a state vector in an “odd” system (T 2 = −1),
then T |ψ is orthogonal to |ψ.
31
Physics 195a
Course Notes
Ideas of Quantum Mechanics – Solutions to Exercises
021024 F. Porter
1 Exercises
1. Show that L2 is complete.
2. Complete the proof that the space L2 (a, b) is separable.
3. Show that if x ∈ H, where H is a separable Hilbert space, is orthogonal
to every vector in a dense set, then x = 0.
Solution: Let {yα} ⊂ H be a set of elements dense in H such that
x|yα = 0, ∀α. (1)
Consider an element y ∈ H, in the closure of the set {yα }. We wish to
show that
x|y = 0. (2)
If we can show this, then we have demonstrated that x is orthogonal to
every element of H (including x), and hence x = 0, since H is a metric
space.
Since the closure of the dense set {yα } is obtained by including the
limits of all Cauchy sequences of elements of {yα }, we may consider
such a Cauchy sequence, say, z1 , z2 , . . ., such that
lim zn = z. (3)
n→∞
Thus,
|x|z| = |x|z − x|zn |, since x|zn = 0, (4)
= |x|z − zn | (5)
= |x| lim (zj − zn )|. (6)
j→∞
But we can pick n to be sufficiently large that the ket vector is as close
as we wish to the zero vector. Hence |x|z| is smaller than any positive
number, and must be zero.
1
4. Complete the proof of the Schwarz inequality.
Solution: Given any two vectors φ, ψ ∈ H, consider the quantity:
where r and θ are real numbers. The value 0 is attained if and only if
φ + reiθ ψ = 0. Expand to obtain:
r 2 ψ|ψ + 2r eiθ φ|ψ + φ|φ ≥ 0. (8)
[xj pk , xm pn ] = xj pk xm pn − xm pn xj pk
= xj xm pk pn + xj [pk , xm ]pn − xm xj pn pk − xm [pn , xj ]pk
= −ixj pn δmk + ixm pk δnj .
Then,
2
Note first that Eαβ,mn = 0 if α = β or if m = n, because then the
two terms will cancel. Now assume that α
= β and m
= n. If α
= m
and α
= n, then we again get zero, since if j
= α and j
= m, then
j = n, which means the first term is zero; similarly for the second term.
Likewise, we have zero if β
= m and β
= n. Thus, consider α = m; in
this case:
[Lα , Lβ ] = iEαβ,mn xm pn
= iαjβ mjn xm pn
= −iαjβ jmn xm pn
= −iαjβ Lj
= iαβj Lj . (14)
[Pm , Xn ] = −iδmn ,
3
[Pm , Pn ] = 0,
[Xm , Xn ] = 0.
The time reversal operation T : t → t = −t, operating on a state
vector gives (in Schrödinger picture – you may consider how to make
the equivalent statement in the Heisenberg picture):
Q = T QT −1
(a) By considering the commutation relations above, and the obvious
classical correspondence for these operators, show that
T iT −1 = −i.
Thus, we conclude that T must contain the complex conjugation
operator K:
KzK −1 = z ∗ ,
for any complex number z, we require that T on any state yields
another state in the Hilbert space. We can argue that (for you
to think about) we can write: T = UK, where U is a unitary
transformation. If we operate twice on a state with T , then we
should restore the original state, up to a phase:
T 2 = η1,
where η is a pure phase factor (modulus = 1).
Solution: Consider
T [P1 , X1 ]T −1 = T (−i)T −1 (15)
= T (P1 X1 − X1 P1 )T −1 (16)
= T P1 T −1 T X1 T −1 − T X1 T −1 T P1 )T −1 (17)
= (−P1 )X1 − X1 (−P1 ) (18)
= i. (19)
4
(b) Prove that η = ±1. Hence, T 2 = ±1. Which phase applies in any
given physical situation depends on the nature of U, and will turn
out to have something to do with spin, as we shall examine in the
future.
Solution: Consider T 3 :
T 3 = T 2 T = ηT (20)
= T T 2 = T η = T ηT −1 T = η ∗ T. (21)
Hence η = η ∗ , and since it is of modulus one, we must have η = ±1.
5
Obtain simple transformation laws, on both the momentum and config-
uration space wave functions, for each of the following proper Gallilean
transformations:
Likewise,
then
2 /2m
ψ̂ (p, t) = fˆ (p)e−itp , (32)
6
etc.)
Solution: Under a velocity transformation, the space coordinates
and momentum transform according to
x = x + v0 t (33)
p = p + mv0 . (34)
Thus,
2
ψ̂ (p, t) = fˆ (p)e−itp /2m (36)
ˆ − mv0 )e−itp2 /2m
= f(p
7
function ψ , when evaluated at a rotated point x , is the same as
the unrotated wave function evaluated at the unrotated point x:
ψ (x , t) = ψ (Rx, t) = ψ(x, t). (39)
Thus,
ψ (x, t) = Rop ψ(x, t) = ψ(R−1 x, t). (40)
I have used the notation Rop to distinguish the operator on the
Hilbert space from the 3 × 3 matrix R.
In momentum space, we may note that the same argument holds
for momenta, or we may Fourier transform the configuration space
result. In either event, we obtain
Rop ψ̂(p, t) = ψ̂(R−1 p, t). (41)
Make sure your answers make sense to you in terms of classical corre-
spondence.
8. Consider the vector space of real continuous functions with continuous
first derivatives in the closed interval [0, 1]. Which of the following
defines a scalar product?
1
(a) f |g = 0 f (x)g (x)dx + f (0)g(0)
1
(b) f |g = 0 f (x)g (x)dx
Solution: A scalar product must satisfy, for any f, g, h ∈ V , the
conditions:
(a) f |f ≥ 0, with f |f = 0 iff f = 0.
(b) f |g = g|f ∗.
(c) f |cg = cf |g, where c is any complex number.
(d) f |g + h = f |g + f |h.
In the present case, we are dealing with real vector spaces, hence the
second condition becomes f |g = g|f and the constant in the third
condition is restricted to be a real number.
It may be readily checked that the scalar product defined in part (a):
1
f |g = f (x)g (x) dx + f (0)g(0), (42)
0
8
satisfies all of the properties. However, the product defined in (b):
1
f |g = f (x)g (x) dx, (43)
0
does not. The property that fails is the first – this product will yield
zero for f |f if f is any constant, i.e., not only f = 0.
Cx = a,
C(x1 , x2 , . . .) = (0, x1 , x2 , . . .)
Is C:
Now answer the same questions for the operator defined by:
9
for any x, y ∈ E∞ and any complex numbers a, b. The same holds for
operator G. C is not a Hermitian operator:
∞
x|Cy = x∗n yn−1
n=2
∞
= x∗n−1 yn . (46)
n=2
where
1 π
a0 = f (x)dx (49)
2π −π
1 π
an = f (x) cos nxdx (n > 0) (50)
π −π
1 π
bn = f (x) sin nxdx. (51)
π −π
10
Solution: Let us start a bit more generally. We argued in the
solutions to problems 2 and 3 that: If we have an orthonormal set
of vectors {eα } in a Hilbert space H, then this set is complete if
and only if there is no vector in H, other than the zero vector,
which is orthogonal to all elements of {eα }. Recall also that {eα }
is complete if and only if the closure of the subspace formed by
{eα } is H.
Let us show that, if {eα } is a complete set of vectors, then we also
have that we may expand any vector f ∈ H as:
f= eα |f eα , (52)
α
|f |2 = |fS |2 + |f − fS |2 . (55)
where the vector norm appears on the left, and absolute value
signs on the right.
We may now see that at most a countable set of coefficients ei |f
can be non-vanishing: If the set is uncountable, then there must
be a limit point in the set of coefficients other than zero, and hence
11
the right hand side of Bessel’s inequality can be made arbitrarily
large. Hence, we consider the expansion in a countable set:
∞
f = ei |f ei. (57)
i=1
Similarly with the above, we take the scalar product of both sides
with ej and learn that f − f is orthogonal the the subspace gen-
erated by {ei }; Bessel’s inequality generalizes to
∞
2
|f | ≥ |ei |f |2, (58)
i=1
12
1.4
1.2
0.8
0.6
0.4
0.2
0
-1 -0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1
-0.2
-0.4
-0.6
-0.8
-1
-1.2
-1.4
13
tute index n with 2k − 1
N
4 sin nx
fN (x) =
π n
n=1,odd
[(N +1)/2]
4 sin(2k − 1)x
= . (63)
π k=1 2k − 1
Take the derivative and set equal to zero to find the extrema:
[(N +1)/2]
4
0 = fN (x)
= cos(2k − 1)x
π k=1
2 sin 2[(N + 1)/2]x
= . (64)
π sin x
If N is even, the first maximum is at NxN = π, and if N is odd,
it is at (N + 1)xN = π. We want the limit:
xN
lim fN (xN ) = lim fN (x) dx
N →∞ N →∞ 0
xN sin 2[(N + 1)/2]x
2
= lim dx
π N →∞ 0 sin x
π
2 sin y dy
= lim
π N →∞ 0 sin {y/2[(N + 1)/2]} 2[(N + 1)/2]
2 π sin y
= dy (65)
π 0 y
2
= Si(π) = 1.179, (66)
π
using the Handbook of Mathematical Functions to determine Si(π) ≈
1.85193.
(d) Obviously, the maximum value of f (x), defined in part (b), is 1.
If the value you found for the series expansion is different from 1,
comment on the possible reconciliation of this difference with the
theorem you demonstrated in part (a).
Solution: Two (related) points may be noted here: First, there
is no contradiction with the assertion that f (x) may be arbitrarily
closely approximated, at any x, by taking the expansion to suffi-
ciently high numbers of terms. Second, in the limit N → ∞, the
14
expansion differs from f (x) at a set of measure zero, and hence is
not considered to be a distinct function in our Hilbert space.
11. Show that, with a suitable measure, any summation over discrete in-
dices may be written as a Lebesgue integral:
∞
f (xn ) = f (x)µ(dx). (67)
n=1 {x}
Solution:
(a) Assume that the amplitude for the atom to be in state E1 is given
by the damped oscillatory form:
t
ψ(t) = ψ0 e−iω0 t− 2τ
15
(b) Note that our amplitude above satisfies a “Schrödinger equation”:
dψ(t) i
i = (ω0 − ) ψ(t)
dt 2τ
Suppose we add a sinusoidal “driving force” F e−iωt on the right
hand side, to describe the situation where we illuminate the atom
with monochromatic light of frequency ω. Solve the resulting in-
homogeneous equation for its steady state solution.
Solution: The new Scrödinger equation is
dψ(t) i
i = (ω0 − ) ψ(t) + F e−iωt . (70)
dt 2τ
The steady state solution is
F
ψ(t) = i e−iωt . (71)
ω − ω0 + 2τ
16
The maximum of this distribution occurs at ω = ω0 , with peak
value 4τ 2 . Half maximum is at ω − ω0 = ±1/(2τ ). Thus, the
FWHM is Γ = 1/τ .
T P T −1 = −P
(where the latter two equations follow simply from classical correspon-
dence).
the eigenvalues
If we work in a basis consisting of the eigenvectors of X,
are simply the real position vectors, and hence:
−1 = X.
U XU
P = −i∇
:
x1 | P | x2 = x )δ (3) (x − x2 )d(3) x
δ (3) (x − x1 )(−i∇
(∞)
x δ (3) (x1 − x2 ).
= −i∇ 1
17
Thus, these matrix elements are pure imaginary, and
K P K −1 = −P ,
U = 1eiθ ,
(a) Show that, for a spin 1/2 particle, we may in the Pauli representa-
tion (that is, an angular momentum basis for our spin-1/2 system
such that the angular momentum operators are given by one-half
the Pauli matrices) write:
T = σ2 K,
18
we have that angular momentum reverses sign under time reversal.
Hence, we must have:
Thus,
Hence,
19
(c) Show that, if |ψ is a state vector in an “odd” system (T 2 = −1),
then T |ψ is orthogonal to |ψ.
Solution: Let |φ = T |ψ. From part (b), we have the final step in
the sequence:
This can only be true if φ|ψ = 0, that is, T |ψ is orthogonal to |ψ.
p = 0; x = 0.
Thus:
(∆p)2 1
E = H = + k(∆x)2 .
2m 2
The uncertainty relation for x and p is:
1 1
(∆p)2 (∆x)2 ≥ |[x, p]|2 = .
4 4
20
Thus,
1 k
E≥ 2
+ (∆x)2 .
8m(∆x) 2
This has a minimum at:
dE 1 k
0= =− + ,
d(∆x) 2 8m(∆x) 4 2
or,
1
(∆x)2 = √ .
2 mk
Therefore,
1
E ≥ ω,
2
Where ω = k/m is the classical oscillator frequency. We note that
the minimum is actually achieved in this case: the ground state energy
of the simple harmonic oscillator is ω/2, in quantum mechanics.
21
Physics 195a
Course Notes
Path Integrals: An Example
021024 F. Porter
1 Introduction
This note illustrates the use of path integral arguments in quantum mechanics
via a famous example, the “Aharonov-Bohm” effect. Along the way, we get a
glimpse of the more fundamental role which electromagnetic potentials take
on in quantum mechanics, compared with classical electrodynamics.
1
fields. Interestingly, when we pursue the correspondence in quantum physics,
we find a new phenomenon. In this section, we look at a specific example,
and use path integral arguments as a tool to investigate this.
Let us consider the following problem: We are given a very long, thin
“solenoid” (Fig. 1). Assume that the current is static, and that the net
charge density is everywhere zero. Thus, we can take φ(x, t) = 0, and hence
E = 0 everywhere.
y
x
Let us further assume that we have made the pitch of the winding very
fine, so that we may assume that the current is perpendicular to the z di-
rection, to whatever approximation we wish (perhaps we could do this by
setting up a persistent current in a cylindrical superconductor). Then, to
whatever approximation we desire, we have Boutside = 0, where “outside”
refers to the region outside the solenoid windings. Inside the solenoid, we
have a non-zero magnetic flux:
Φ= B · dS. (5)
solenoid cross section
2
That is, we have a magnetic field given by:
0 outside solenoid
B= (6)
B0 ez inside solenoid,
where B0 is a constant. This may be demonstrated with Maxwell’s equations
and symmetry arguments.
Thus, we have a situation where the electromagnetic field is zero every-
where outside of a thin cylindrical region, to whatever approximation we
need. What is the vector potential outside this solenoid? Starting with
B = ∇ × A, and using Stoke’s theorem we find:
Φ
Aoutside (x, t) = Aeφ = eφ . (7)
2πr
We have made a particular choice of gauge here, in which Ar = Az = 0.
Since Jr = Jz = 0, these two components of the vector potential must be
constants.
Notice now that the line integral of A along a closed curve outside and
around the solenoid (see Fig. 2) is equal to the enclosed flux, which is non-
zero. Thus, it is impossible to find a gauge transformation such that A = 0
everywhere outside the solenoid. Let’s check this more explicitly, by seeing
Figure 2: Cross section view of the solenoid, with a path around it in a region
with vector potential A.
A → A = A + ∇χ, (8)
3
so that A = 0, we must have
Φ
∇χ = − eφ . (9)
2πr
In cylindrical coordinates,
∂χ 1 ∂χ ∂χ
∇χ = er + eφ + ez . (10)
∂r r ∂φ ∂z
Only the eφ component contributes, hence
φ
χ = −Φ (plus any constant). (11)
2π
Following a brief moment of elation that we have succeeded, we realize
that there is a problem. This solution is not a single-valued function of
spatial position. Any attempt to patch this, e.g., by introducing a point of
discontinuity in χ(φ), results in a vector potential which is non-zero outside
the soelnoid for some value(s) of φ.
We have constructed a physical situation, to a good approximation, in
which the magnetic field vanishes in a region, but the vector potential does
not. Since there is something which we cannot get rid of by a gauge trans-
formation, we might wonder whether there really is “something” outside the
solenoid that “knows” about the field inside, even if the field outside is zero.
Is there an experimentally observable consequence, or is this merely a math-
ematical oddity?
Classically, it appears that we in fact see nothing outside the solenoid:
If we probe the outside region with charged particles, their trajectories are
unaltered, because
dp
F= = q(E + v × B) = 0. (12)
dt
What about quantum mechanics? We expect that the only hope is that
something observable happens in the phase of the amplitude, since there are
no classical effects. Let us imagine an experiment in which phase effects
could appear.
We consider a wave packet (particle) suitably localized, and split, away
from the solenoid (see Fig. 3). To begin the analysis of what happens to this
wave packet, suppose first that the magnet is off, Φ = 0. Let
4
where ψ is the wave passing to the left, and ψr is the wave passing to the
right. That is, ψ is a solution to the (A = 0) Schrödinger equation with the
property that it vanishes, for all times, on the half plane to the right of the
solenoid. Switching right and left, ψr has the corresponding interpretation.
We assume that at some early time, ti , the wave packet is in front of the
solenoid, and that at a later time, tf , the wave packet is predominantly
behind the solenoid. We look for interference patterns behind the solenoid
at tf .
Wave
Packet
With this general setup, and magnet-off solutions, let us now consider
what happens when there is a flux Φ in the solenoid. We’ll assume that this
flux is time-independent. Let
x
s (x) ≡ A(x ) · dx , (14)
xi
left path
x
sr (x) ≡ A(x ) · dx , (15)
xi
right path
where “left path” (“right path”) is a path which does not intersect the
right(left) half-plane at the solenoid (or perhaps intersects it an even number
of times).
5
left path
x0 . x .
.x
solenoid
right path
Figure 4: A section of the long solenoid, with sample left and right paths
from x0 to x.
We know that, independent of the details of the paths taken (Fig. 4),
0 x in front of solenoid,
A(x ) · dx = (16)
Φ x behind solenoid.
−left path
+right path
Actually, we could worry about less-probable scenarios, such as paths which
circulate the solenoid multiple times, which would require modification to
the above statement. We thus have that s (x) and sr (x) are independent of
their particular paths, as long as we maintain the left, right constraints.
So, what is the solution to the Scrödinger equation in the presence of Φ?
It will be left to the reader to verify that the solution is:
6
If x is in front of the solenoid, then s (x) = sr (x), since Φenclosed = 0.
Then
Thus, at early times, ψΦ and ψ0 represent the same state, because they differ
only in phase.
At later times we consider the region “behind” the solenoid. In this case,
and thus,
ψΦ (x, t) = ψ (x, t) + eiqΦ ψr (x, t) eiqs (x) (late times, tf ). (20)
Thus, the flux manifests itself in a phase shift by qΦ of the wave passing to the
right relative to the wave passing to the left. The interference pattern behind
the solenoid will then be affected, unless qΦ = 2πn, where n is an integer. The
flux inside the solenoid may be “observed” with a probe outside the solenoid
in a purely quantum mechanical way. This has been experimentally verified.
An early theoretical paper, for which this effect is named, is Aharonov and
Bohm, Physical Review 115 (1959) 485. An early experimental paper is
Chambers, Physical Review Letters 5 (1960) 3.
4 Exercises
1. Show that the B field is as given in Eqn. 6, and that the vector potential
is as given in Eqn. 7, up to gauge transformations.
2. Verify that the wave function in Eqn. 17 satisfies the Schrödinger equa-
tion.
3. A number of assumptions have been made, possibly implicitly in the
discussion of this effect.
(a) Critique the discussion, pointing out areas where the argument
may break down.
(b) Resolve the problematic areas in your critique, or else demonstrate
that the argument really does break down.
7
4. We have discussed the interesting Aharonov-Bohm effect. Let us con-
tinue a bit further the thinking in this example.
(a) Consider again the path integral in the vicinity of the long thin
solenoid. In particular, consider a path which starts at x, loops
around the solenoid, and returns to x. Since the B and E fields
are zero everywhere in the region of the path, the only effect on
the particle’s wave function in traversing this path is a phase shift,
and the amount of phase shift depends on the magnetic flux in the
solenoid, as we discussed in class. Suppose we are interested in a
particle with charge of magnitude e (e.g., an electron). Show that
the magnetic flux Φ in the solenoid must be quantized, and give
the possible values that Φ can have.
(b) Wait a minute!!! Did you just show that there is no Aharonov-
Bohm effect? We know from experiment that the effect is real.
So, if you did what I expected you to do in part (a), there is a
problem. Discuss!
(c) The BCS theory for superconductivity assumes that the basic
“charge carrier” in a superconductor is a pair of electrons (a
“Cooper pair”). The Meissner effect for a (Type I) supercon-
ductor is that when such a material is placed in a magnetic field,
and then cooled below a critical temperature, the magnetic field
is excluded from the superconductor. Suppose that there is a
small non-superconducting region traversing the superconductor,
in which magnetic flux may be “trapped” as the material is cooled
below the critical temperature. Ignoring part (b) above, what val-
ues do you expect to be possible for the trapped flux? [This effect
has been experimentally observed.] What is the value (in Tesla-
m2 ) of the smallest non-zero flux value. You may find the following
conversion constant handy:
8
more carefully. Let us suppose we have a ring of superconducting
material. We assume a model for superconductivity in which the
superconducting electrons are paired, and the resulting pairs are
in a “Bose-condensate”. Well, this precedes our discussion on
identical particles, but we essentially mean that the pairs are all
in the same quantum state. We may write our wave function for
the superconducting pairs in the form:
ρs iθ(x)
ψ(x) = e , (22)
2
where ρs is the number density of superconducting electrons, and
θ is a position-dependent phase. Note that we have normalized
our wave function so that its absolute square gives the density of
Cooper pairs. Find an expression for ρ2s v, the Cooper pair number
current density. Use this with the expression for the canonical mo-
mentum of a Cooper pair in a magnetic field (vector potential A)
to arrive at an expression for the electromagnetic current density
of the superconducting electrons.
Now consider the following scenario: We apply an external mag-
netic field with the superconductor above its critical temperature
(that is, not in a superconducting state). We then cool this sys-
tem down below the critical temperature. We want to know what
we can say about any magnetic flux which is trapped in the hole
in the superconductor. Consider a contour in the interior of the
superconductor, much further from the surfaces than any pene-
tration depths. By considering an integral around this contour,
see what you can say about the allowed values of flux through the
hole.
(e) So far, no one has observed (at least not convincingly) a magnetic
“charge”, analogous to the electric charge. But there is nothing
fundamental that seems to prevent us from modifying Maxwell’s
equations to accommodate the existence of such a “magnetic mono-
pole”. In particular, we may alter the divergence equation to:
∇ · B = 4πρM ,
9
Consider a magnetic monopole of strength eM located at the ori-
gin. The B -field due to this charge is simply:
eM
B= r̂r̂,
r
where r̂ is a unit vector in the radial direction. The r̂r̂-component
of the curl of the vector potential is:
1 ∂ ∂Aθ
(Aφ sin θ) − .
r sin θ ∂θ ∂φ
A solution, as you should quickly convince yourself, is a vector
potential in the φ direction:
1 − cos θ
Aφ = eM .
r sin θ
Unfortunately(?), this is singular at θ = π, i.e., on the negative
z-axis. We can fix this by using this form everywhere except in
a cone about θ = π, i.e., for θ ≤ π − , and use the alternate
solution:
−1 − cos θ
Aφ = eM
r sin θ
in the (overlapping) region θ ≥ , thus covering the entire space.
In the overlap region ( ≤ θ ≤ π − ), either A or A may be used,
and must give the same result, i.e., the two solutions are related
by a gauge transformation – that is, they differ by the gradient of
a scalar function.
Consider the effect of the vector potential on the wave function
of an electron (charge −e). Invoke single-valuedness of the wave
function, and determine the possible values of eM that a magnetic
charge can have. [This is sometimes called a “Dirac monopole”.]
10
Physics 195a
Course Notes
Path Integrals: An Example – Solutions to Exercises
021024 F. Porter
1 Exercises
1. Show that the B field is as given in Eqn. 6, and that the vector potential
is as given in Eqn. 7, up to gauge transformations.
Solution: We wish to show that:
0 outside solenoid
B= (1)
B0 ez inside solenoid,
Use the form of Maxwell’s equations which states:
B · d = 4πIenclosed . (2)
Consider a circle of radius r, centered on the solenoid and perpendicular
to the z axis, where r may be larger or smaller than the solenoid radius.
In either case the enclosed current is zero, and hence Bφ = 0 both inside
and outside the solenoid (using the circular symmetry to do the line
integral of the magnetic field). etc.
2. Verify that the wave function in Eqn. 17 satisfies the Schrödinger equa-
tion.
Solution: The Schrödinger equation is
1
i∂t ψΦ = (−i∇ − qA)2ψ (3)
2m
We are given left and right solutions that satisfy the Schrödinger equa-
tion with A = 0:
i∂t ψΦ = i∂t ψ eiqs + i∂t ψr eiqsr
1 iqs 2 1 iqsr 2
= − e ∇ ψ − e ∇ ψr . (4)
2m 2m
Consider now
(−i∇ − qA)2 ψ eiqs = (−i∇ − qA) · (−i∇ψ )eiqs + ψ (q∇s )eiqs − qAψ eiqs
= (−i∇ − qA) · (−i∇ψ )eiqs
= −∇2 ψ eiqs . (5)
1
Repeat for ψr and plug into the Schrödinger equation.
3. A number of assumptions have been made, possibly implicitly in the
discussion of this effect.
(a) Critique the discussion, pointing out areas where the argument
may break down.
(b) Resolve the problematic areas in your critique, or else demonstrate
that the argument really does break down.
Solution:
where the second equality holds if the loop encloses the solenoid.
Single-valuedness for the wave function imposes the constraint
that ∆θ must be an integral muliple of 2π. Hence, we can only
have:
2
(b) Wait a minute!!! Did you just show that there is no Aharonov-
Bohm effect? We know from experiment that the effect is real.
So, if you did what I expected you to do in part (a), there is a
problem. Discuss!
Solution: We may see a hint of the problem by noticing that
the answer for the quantum of magnetic flux obtained in part
(a) seems to depend on the charge of the particle being used to
probe the vector potential. If we use a different charge, we’ll get
a different quantum – the answer isn’t intrinsic to the solenoid
alone.
We’ll discuss this further in class. It’ll motivate us into a discus-
sion of Berry’s phase.
(c) The BCS theory for superconductivity assumes that the basic
“charge carrier” in a superconductor is a pair of electrons (a
“Cooper pair”). The Meissner effect for a (Type I) supercon-
ductor is that when such a material is placed in a magnetic field,
and then cooled below a critical temperature, the magnetic field
is excluded from the superconductor. Suppose that there is a
small non-superconducting region traversing the superconductor,
in which magnetic flux may be “trapped” as the material is cooled
below the critical temperature. Ignoring part (b) above, what val-
ues do you expect to be possible for the trapped flux? [This effect
has been experimentally observed.] What is the value (in Tesla-
m2 ) of the smallest non-zero flux value. You may find the following
conversion constant handy:
1 = 0.3 Tesla-m/GeV, (6)
where the “0.3” is more precisely the speed of light in nanome-
ters/second.
Solution: In this case, the “basic” charge carriers have charge
magnitude 2e, and hence the quantization condition in part (a)
becomes:
2πn
Φn = , where n = . . . , −2, −1, 0, 1, 2, . . . .
2e
Let’s determine the value of the flux for n = 1. We have to be a
√
bit careful about our units here. If we were to blindly say e = α,
3
we would get:
π π
Φ1 = = 0.3 T-m/GeV × 10−3 GeV/MeV × 197 MeV-fm × 10−15 m/fm
e 1/137
≈ 2.2 × 10−15 T-m2 . (WRONG) (7)
But this isn’t quite right for the MKS system. Actually,
e2
= α, (8)
4π0
or, since 0 = 1/µ0, and µ0 = 4π × 10−7 N/A2 ,
107 2
e2 = A /N. (9)
137
Thus,
π
Φ1 = = π 137 × 107 N/A2 . (10)
e
So what is N/A2 , in T-m2 (or Webers)? Well,
N kg-m/s2
=
A2 (kg/T-s2 )2
2 s2
= T-m
m3 kg
1
= T-m2
m-J
1 J
= T-m2 1.602 × 10−19 197 × 10−9 eV-m
m-J eV
−13 2
= 1.78 × 10 T-m . (11)
Hence,
Φ1 ≈ 2.07 × 10−15 T-m2 . (12)
(d) How can we reconcile the answer to part (c), which turns out to be
a correct result (even if the derivation might be flawed), with your
discussion in part (b)? Let’s examine the superconducting case
more carefully. Let us suppose we have a ring of superconducting
4
material. We assume a model for superconductivity in which the
superconducting electrons are paired, and the resulting pairs are
in a “Bose-condensate”. Well, this precedes our discussion on
identical particles, but we essentially mean that the pairs are all
in the same quantum state. We may write our wave function for
the superconducting pairs in the form:
ρs iθ(x)
ψ(x) = e , (13)
2
where ρs is the number density of superconducting electrons, and
θ is a position-dependent phase. Note that we have normalized
our wave function so that its absolute square gives the density of
Cooper pairs. Find an expression for ρ2s v, the Cooper pair number
current density. Use this with the expression for the canonical mo-
mentum of a Cooper pair in a magnetic field (vector potential A)
to arrive at an expression for the electromagnetic current density
of the superconducting electrons.
Now consider the following scenario: We apply an external mag-
netic field with the superconductor above its critical temperature
(that is, not in a superconducting state). We then cool this sys-
tem down below the critical temperature. We want to know what
we can say about any magnetic flux which is trapped in the hole
in the superconductor. Consider a contour in the interior of the
superconductor, much further from the surfaces than any pene-
tration depths. By considering an integral around this contour,
see what you can say about the allowed values of flux through the
hole.
Solution: We first look for an expression for the Cooper pair
number current density. The Schrödinger equation for a free par-
ticle is:
∇2
i∂t ψ(x, t) = − ψ(x, t), (14)
2m
where m is the mass of the electron. Multiply this equation by
ψ ∗ . Take the complex conjugate of the Schrödinger equation, and
multiply by ψ. Finally, take the difference between the two results,
to obtain:
∇2 ∇2 ∗
ψ ∗ i∂t ψ − ψ(−i)∂t ψ ∗ = −ψ ∗ ψ − (−)ψ ψ (15)
2m 2m
5
1 ∗ 2
i∂t |ψ|2 = −ψ ∇ ψ + ψ∇2 ψ ∗ (16)
2m
ρs 1
i∂t = ∇ · (ψ∇ψ ∗ − ψ ∗ ∇ψ) . (17)
2 2m
This is of the form of a continuity equation (∂t Q + ∇ · J = 0), and
we read off the Cooper pair number current density:
ρs i
v= (ψ∇ψ ∗ − ψ ∗ ∇ψ) , (18)
2 2m
where v is the Cooper pair speed (assumed to be non-relativistic,
of course).
Now for the canonical momentum of a Cooper pair. For this
purpose, we see that a Cooper pair is a “particle” of charge −2e
and mass 2m. The canonical momentum is
p = −i∇, (19)
Now for our scenario. The essential physical point, which makes
this example different from the Aharonov-Bohm situation, is that,
deep enough into the superconductor, the Cooper-pair current
density is zero. We integrate around the contour to obtain:
1
∇θ · ds = A · ds = Φ. (24)
2e C C
6
Single-valuedness of the wave function implies that
1 1
Φ= ∇θ · ds = 2πk, (25)
2e C 2e
where k must be an integer.
(e) So far, no one has observed (at least not convincingly) a magnetic
“charge”, analogous to the electric charge. But there is nothing
fundamental that seems to prevent us from modifying Maxwell’s
equations to accommodate the existence of such a “magnetic mono-
pole”. In particular, we may alter the divergence equation to:
∇ · B = 4πρM ,
7
and must give the same result, i.e., the two solutions are related
by a gauge transformation – that is, they differ by the gradient of
a scalar function.
Consider the effect of the vector potential on the wave function
of an electron (charge −e). Invoke single-valuedness of the wave
function, and determine the possible values of eM that a magnetic
charge can have. [This is sometimes called a “Dirac monopole”.]
Solution: Consider the gauge transformation relating the two
vector potentials in the overlap region:
2eM
A − A = − êeφ = ∇χ,
r sin θ
where χ is a scalar function. Since
∂χ 1 ∂χ 1 ∂χ
∇χ = êer + êeθ + êeφ ,
∂r r ∂θ r sin θ ∂φ
up to an unimportant constant, we thus have the gauge function
χ = −2eM φ.
ψ → ψ = ψ exp(ieχ)
(Since A · ds → A · ds + ∇χ · ds, and ∇χ · ds = χ). Hence,
we have:
ψ = ψ exp(−2ieeM φ).
But this must be single-valued, giving the condition that
8
Physics 125c
Course Notes
Density Matrix Formalism
040511 Frank Porter
1 Introduction
In this note we develop an elegant and powerful formulation of quantum me-
chanics, the “density matrix” formalism. This formalism provides a structure
in which we can address such matters as:
• We typically assume that it is permissible to work within an appropriate
subspace of the Hilbert space for the universe. Is this all right?
• In practice we often have situations involving statistical ensembles of
states. We have not yet addressed how we might deal with this.
1
We see that hQi is an expansion quadratic in the {an } coefficients.
Consider the operator |ψ(t)ihψ(t)|. It has matrix elements:
We note that the density operator, unlike the state vector, has no phase
ambiquity. The same state is described by |ψ(t)i and |ψ 0 (t)i = eiθ |ψ(t)i.
Under this phase transformation, the density operator transforms as:
ρ2 (t) = |ψ(t)ihψ(t)||ψ(t)ihψ(t)|
= ρ(t). (14)
3
3 Statistical Mixtures
We may wish to consider cases where the system is in any of a number of
different states, with various probabilities. The system may be in state |ψ1 i
with probability p1 , state |ψ2 i with probability p2 , and so forth (more gener-
ally, we could consider states over some arbitrary, possibly non-denumerable,
P
index set). We must have 1 ≥ pi ≥ 0 for i ∈ {index set}, and i pi = 1.
Note that this situation is not the same thing as supposing that we are in
√
the state |ψi = p1 |ψ1 i + p2 |ψ2 i + · · · (or even with p1 , etc.). Such statistical
mixtures might occur, for example, when we prepare a similar system (an
atom, say) many times. In general, we will not be able to prepare the same
exact state every time, but will have some probability distribution of states.
We may ask, for such a system, for the probability P ({q}) that a mea-
surement of Q will yield a result in the set {q}. For each state in our mixture,
we have
where ρn = |ψn ihψn |. To determine the overall probability, we must sum over
the individual probabilities, weighted by pn :
X
P ({q}) = pn Pn ({q})
n
X
= pn Tr ρn P{q}
n
!
X
= Tr pn ρn P{q}
n
= Tr ρP{q} , (18)
where X
ρ≡ pn ρn . (19)
n
Now ρ is the density operator of the system, and is a simple linear combina-
tion of the individual density operators. Note that ρ is the “average” of the
ρn ’s with respect to probability distribution pn .
Let us investigate this density operator:
• Since ρn are Hermitian, and pn are real, ρ is Hermitian.
4
P P P
• Trρ = Tr ( n pn ρn ) = n pn Trρn = n pn = 1.
P
• ρ is non-negative-definite: hφ|ρφi = n pn hφ|ρn φi ≥ 0.
• Let Q be an operator with eigenvalues qn . In the current situation, hQi
refers to the average of Q over the statistical mixture. We have:
X X
hQi = qn P ({qn }) = qn Tr ρP{qn }
n n
!
X
= Tr ρ qn P{qn }
n
X
= Tr(ρQ), since Q = qn P{qn } . (20)
n
• We may determine the time evolution of ρ. For ρn (t) = |ψn (t)ihψn (t)|
we know (Eqn. 11) that
dρn (t)
i = [H(t), ρn (t)] . (21)
dt
P
Since ρ(t) is linear in the ρn , ρ(t) = n pn ρn (t), we have
dρ(t)
i = [H(t), ρ(t)] . (22)
dt
• Now look at
XX
ρ2 = pm pn ρm ρn
m n
XX
= pm pn |ψm ihψm |ψn ihψn |
m n
6= ρ, in general. (23)
What about the trace of ρ2 ? Let
X
|ψm i = (am )j |uj i. (24)
j
Then
XX
ρ2 = pm pn |ψm ihψm |ψn ihψn |
m n
" #
XX XX XX
= pm pn (am )∗i (an )j δij (am )k (an )∗` |uk ihu`|
m n i j k `
X
= pm pn (am )∗i (an )i (am )k (an )∗` |uk ihu`|. (25)
m,n,i,k,`
5
Let’s take the trace of this. Notice that Tr(|uk ihu`|) = δk` , so that
X
Tr(ρ2 ) = pm pn (am )∗i (an )i (am )k (an )∗k . (26)
m,n,i,k
P ∗
But hψm |ψn i = i (am )i (an )i , and thus:
XX
Tr(ρ2 ) = pm pn |hψm |ψn i|2
m n
XX
≤ pm pn hψm |ψm ihψn |ψn i, (Schwarz inequality)
m n
X X
≤ pm pn
m n
≤ 1. (27)
The reader is encouraged to check that equality holds if and only if the
system can be in only one physical state (that is, all but one of the pn ’s
corresponding to independent states must be zero).
Note that, if Tr(ρ2 ) = 1, then ρ = |ψihψ|, which is a projection operator.
We encapsulate this observation into the definition:
Def: A state of a physical system is called a pure state if Tr(ρ2 ) = 1; the
density operator is a projection. Otherwise, the system is said to be in
a mixed state, or simply a mixture.
The diagonal matrix elements of ρ have a simple physical interpretation:
X
ρnn = pj (ρj )nn
j
X
= pj hun |ψj ihψj |un i
j
X
= pj |(aj )n |2 . (28)
j
This is just the probability to find the system in state |un i. Similarly, the
off-diagonal elements are
X
ρmn = pj (aj )m (aj )∗n . (29)
j
6
4 Measurements, Statistical Ensembles, and
Density Matrices
Having developed the basic density matrix formalism, let us now revisit it,
filling in some motivational aspects. First, we consider the measurement
process. It is useful here to regard an experiment as a two-stage process:
1. Preparation of the system.
2. Measurement of some physical aspect(s) of the system.
For example, we might prepare a system of atoms with the aid of spark gaps,
magnetic fields, laser beams, etc., then make a measurement of the system
by looking at the radiation emitted. The distinction between preparation
and measurement is not always clear, but we’ll use this notion to guide our
discussion.
We may further remark that we can imagine any measurement as a sort
of “counter” experiment: First, consider an experiment as a repeated prepa-
ration and measurement of a system, and refer to each measurement as an
“event”. Think of the measuring device as an array of one or more “counters”
that give a response (a “count”) if the variables of the system are within some
range. For example, we might be measuring the gamma ray energy spectrum
in some nuclear process. We have a detector which absorbs a gamma ray
and produces an electrical signal proportional to the absorbed energy. The
signal is processed and ultimately sent to a multichannel analyzer (MCA)
which increments the channel corresponding to the detected energy. In this
case, the MCA is functioning as our array of counters.
The process is imagined to be repeated many times, and we are not con-
cerned with issues of the statistics of finite counting here. The result of such
an experiment is expressed as the probability that the various counters will
register, given the appropriate preparation of the system. These probabilities
may include correlations.
Let us take this somewhat hazy notion and put it into more concrete
mathematical language: Associate with each counter a dichotomic vari-
able, D, as follows:
If the counter registers in an event, D = 1.
If the counter does not register in an event, D = 0.
We assert that we can, in principle, express all physical variables in terms of
dichotomic ones, so this appears to be a sufficiently general approach.
7
By repeatedly preparing the system and observing the counter D, we can
determine the probability that D registers: The average value of D, hDi, is
the probability that D registers in the experiment. We refer to the particu-
lar preparation of the system in the experiment as a statistical ensemble
and call hDi the average of the dichotomic variable D with respect to this
ensemble.
If we know the averages of all possible dichotomic variables, then the en-
semble is completely known. The term “statistical ensemble” is synonymous
with a suitable set of averages of dichotomic variables (i.e., probabilities).
Let us denote a statistical ensemble with the letter ρ. The use of the same
symbol as we used for the density matrix is not coincidental, as we shall see.
The quantity hDiρ explicitly denotes the average of D for the ensemble ρ.
Clearly:
0 ≤ hDiρ ≤ 1. (30)
D is precisely known for ensemble ρ if hDiρ = 0 or hDiρ = 1. Otherwise,
variable D possesses a statistical spread. Note that we may prepare a system
(for example, an atom) many times according to a given ensemble. However,
this does not mean that the system is always in the same state.
We have the important concept of the superposition of two ensembles:
Let ρ1 and ρ2 be two distinct ensembles. An ensemble ρ is said to be an
incoherent superposition of ρ1 and ρ2 if there exists a number θ such
that 0 < θ < 1, and for every dichotomic variable D we have:
hDiρ = θhDiρ1 + (1 − θ)hDiρ2 . (31)
This is expressed symbolically as:
ρ = θρ1 + (1 − θ)ρ2 , (32)
“ρ is a superposition of ρ1 and ρ2 with probabilities θ and 1 − θ.”
We assume that if ρ1 and ρ2 are physically realizable, then any coherent
superposition of them is also physically realizable. For example, we might
prepare a beam of particles from two independent sources, each of which
may hit our counter: ρ1 corresponds to source 1, ρ2 corresponds to source
2. When both sources are on, the beam hitting the counter is an incoherent
mixture of ρ1 and ρ2 . We may compute the probability, P (1|hit), that a
particle hitting the counter is from beam 1. Using Bayes’ theorem:
P (hit|1)P (1)
P (1|hit) =
P (hit)
8
hDiρ1 θ
=
θhDiρ1 + (1 − θ)hDiρ2
hDiρ1
= θ . (33)
hDiρ
(34)
9
What does this result tell us? The quantity |hDiρ − 12 | ∈ [0, 12 ] can be
regarded as a measure of the information we have about variable D for en-
semble ρ. For example, if |hDiρ − 12 | = 12 , then hDiρ = 1 or 0, and D is
precisely known for ensemble ρ. On the other hand, if |hDiρ − 12 | = 0, then
hDiρ = 1/2, and each of the possibilities D = 0 and D = 1 is equally likely,
corresponding to maximal ignorance about D for ensemble ρ. Thus, our in-
equality says that, for at least one of ρ1 and ρ2 , we know more about D than
for the incoherent superposition ρ.
We may restate our definition of pure and mixed states:
α . . β
(a) Not a convex set. (b) A convex set. (c) A convex set: Any convex combination of
α, β, x = θα + (1 − θ)β, where 0 < θ < 1 is an element of the set.
10
mechanics first. In classical physics, the pure states correspond to a complete
absence of any statistical spread in the dichotomic variables. If a preparation
yields a pure state, then a repeated measurement of any variable will always
yield the same result, either 0 or 1. Experimentally, this does not seem to be
the case. Instead, no matter how carefully we prepare our ensemble, there
will always be at least one dichotomic variable D such that hDi = 1/2, corre-
sponding to maximal statistical spread. Quantum mechanics (ignoring now
issues of superselection rules) also deals with the nature of dichotomic vari-
ables and the set of ensembles, in a way which agrees so far with experiment.
Let us restate some earlier postulates of quantum mechanics, modified and
expanded in this context:
1. To every physical system we associate a Hilbert space H. The pure
ensembles of the system are in 1:1 correspondence with the set of all
one-dimensional projections in H. Such a projection, P , is an operator
on the Hilbert space satisfying (A):
2
P =P idempotent,
†
(A) P = P Hermitian, (41)
Tr(P ) = 1 “primitive”, or one-dimensional.
The set of all such projections is in one-to-one correspondence with the
set of all rays2 in H. Alternatively, we say that there is a one-to-one
correspondence between the rays and the pure states.
Given any ray R, we can pick a unit vector φ ∈ R, and the idempotent
P associated with R is
(B) P = |φihφ|. (42)
Conversely, any idempotent with the properties (A) can also be written
in the form (B).
Proof: We assume (see Exercises) that it has been demonstrated that
any linear operator in an n-dimensional Euclidean space may be
expressed as an n-term dyad, and that the extension of this idea
to an infinite-dimensional separable space has been made. Hence,
we may write: X
P = |ai ihbi |. (43)
i
2
A ray is the set of all non-zero multiples of a given non-zero vector. Such a multiple
is called an element of the ray.
11
Note that in some orthonormal basis {|ei i}, the matrix elements
of P are Pij = hei |P |ej i, and hence,
X
P = |ei iPij hej |. (44)
i,j
where the latter equality can be true if and only if Pii2 = Pii for
all i. That is, for each i we must either have Pii = 1 or Pii = 0.
P
But we must also have Tr(P ) = i Pii = 1, which holds if exactly
one Pii 6= 0, say Paa . In this basis,
D† = D (48)
D 2 = D 6= 0, (49)
12
4. An arbitrary ensemble ρ is represented by a statistical operator,
or density matrix, which we also denote by symbol ρ. This is a
Hermitian operator on H with spectral decomposition,
X
ρ= ri Pi , (51)
i
where
Pi Pj = δij (52)
X
Pi = I (53)
i
ri ≥ 0 (54)
X
ri = 1. (55)
i
The set {ri } is the set of eigenvalues of the operator ρ. The properties
of this density matrix are precisely as in our earlier discussion.
Our symbolic equation for the incoherent superposition of two ensem-
bles, ρ = θρ1 + (1 − θ)ρ2 , can be interpreted as an equation for the cor-
responding density matrices represented by the same symbols. Hence,
the density matrix ρ describing the superposition of ρ1 and ρ2 with
probabilities θ and 1 − θ is ρ = θρ1 + (1 − θ)ρ2 . Thus, if ρ is any density
matrix, and D any dichotomic variable, then:
For example,
ρ = P ⇔ Tr(P ρ) = 1. (58)
13
Proof: Suppose ρ = P . Then Tr(P P ) = Tr(P ), since P 2 = P . But
TrP = 1, since P is primitive. Now suppose Tr(P ρ) = 1. Then
!
X
1 = Tr P ri Pi
i
X
= ri Tr(P Pi ). (59)
i
Then:
X X
1 = ri Tr |ej ihej |P |ek ihek |ei ihei |
i j,k
X X
= ri hej |P |ei iTr (|ej ihei |)
i j
X
= ri hei |P |ei i. (61)
i
P P
But we also have i hei |P |ei i = 1 and i ri = 1, with 0 ≤ ri ≤ 1.
P
Thus, i ri hei |P |ei i < 1, unless there is a k such that rk = 1,
and all of the other ri = 0, i 6= k. Hence, hek |P |ek i = 1, or
P = |ek ihek | = ρ.
14
Hence it is natural to define the ensemble average of Q in an ensemble
ρ by:
X
hQiρ = h qi Pi iρ
i
X
= qi Tr(ρPi )
i
= Tr(ρQ). (63)
5 Coherent Superpositions
Theorem: Let P1 , P2 be two primitive Hermitian idempotents (i.e., rays, or
pure states, with P † = P , P 2 = P , and TrP = 1). Then:
1 ≥ Tr(P1 P2 ) ≥ 0. (64)
If Tr(P1 P2 ) = 1, then P2 = P1 . If Tr(P1 P2 ) = 0, then P1 P2 = 0 (vectors
in ray 1 are orthogonal to vectors in ray 2).
More generally, if ρ is a density matrix, and Q is any projection, then
1 ≥ Tr(Qρ) ≥ 0, (65)
Tr(Qρ) = 1 ⇔ Qρ = ρQ = ρ, (66)
Tr(Qρ) = 0 ⇔ Qρ = 0. (67)
Suppose we have orthogonal pure states, P1 P2 = 0. There then exists a
unique two parameter family of pure states {P } such that
Tr(P P1 ) + Tr(P P2 ) = 1. (68)
15
Any member P of this family is a ray corresponding to any vector in the
two-dimensional subspace defined by the projection P1 + P2 = S. We say
that P is a coherent superposition of the pure states P1 and P2 .
Let’s give an explicit construction of the operators P : Pick unit vector
|e1 i from ray P1 and |e2 i from ray P2 . Construct the following four operators:
S = P1 + P2 = |e1 ihe1 | + |e2 ihe2 | (69)
σ1 = |e1 ihe2 | + |e2 ihe1 | (70)
σ2 = i (|e2 ihe1 | − |e1 ihe2 |) (71)
σ3 = |e1 ihe1 | − |e2 ihe2 |. (72)
These operators satisfy the algebraic relations (noting the obvious similarities
with the Pauli matrices):
S2 = S (73)
Sσi = σi (74)
σi2 = S (75)
[σi , σj ] = iijk σk . (76)
Let u = (u1 , u2 , u3 ) be a unit vector in three-dimensional Euclidean space.
Define
1
P (u) ≡ (S + u · σ ). (77)
2
The reader should demonstrate that P (u) is the most general coherent su-
perposition of pure states P1 and P2 . This set is parameterized by the two-
parameter unit vector u. This, of course, is very characterstic of quantum
mechanics: If we have a “two-state” system we may form arbitrary super-
positions |ψi = α|ψ1 i + β|ψ2 i (assume hψ1 |ψ2 i = 0). The overall phase is
arbitrary, and the normalization constraint |α|2 + |β|2 = 1 uses another de-
gree of freedom, hence two parameters are required to describe an arbitrary
state. Note that the coherent superposition of pure states is itself a pure
state, unlike an incoherent superposition.
16
Hermitian). Call this vector space O (for vector space of Operators). Define
a postive definite [(X, X) > 0 unless X = 0] symmetric [(X, Y ) = (Y, X)]
scalar product on O by:
(X, Y ) ≡ Tr(XY ), (78)
for any two vectors (i.e., Hermitian operators) X, Y ∈ O. The set of all
density matrices forms a convex subset of O, with norm ≤ 1.
Consider a complete orthonormal basis in O:
but, as we have seen before, Tr(Bi ρ) = hBi iρ is just the ensemble average of
observable Bi in the ensemble ρ. Hence, the density matrix may be deter-
mined through measurements, uniquely, if we measure the ensemble averages
of a complete set of operators.
3
Abstractly, a point of accumulation (or a limit point) is a point x ∈ S ⊂ T , where
T is a topological space, if every neighborhood N (x) contains a point of S distinct from
x.
17
The spectral resolution of Q is given by:
X
Q= qk |kihk|. (83)
k
Let Σ(Q) denote the spectrum {q} of Q. If f (q) is any function defined
on Σ(Q), we define the operator f (Q) by:
X
f (Q) ≡ f (qk )|kihk|. (84)
k
For example, X 2
Q2 = qk |kihk|, (85)
k
which may be compared with
X
Q2 = qk qj |kihk|jihj| (86)
k,j
X
= qk2 |kihk|,
k
we have X
ln ρ = (ln ri )Pi , (89)
i
and hence
" #
X
s = −Tr (ln ri )ρPi
i
X
= − ln ri Tr(ρPi )
i
X X
= − ln ri Tr( rj Pj Pi )
i j
X
= − ri ln ri . (90)
i
18
Since 0 ≤ ri ≤ 1, we always have s ≥ 0, and also s = 0 if and only if the
ensemble is a pure state. Roughly speaking, the more non-zero ri ’s there are,
that is the more the number of pure states involved, the greater the entropy.
Consistent with our classical thermodynamic notion that entropy in-
creases with “mixing”, we have the “von Neumann mixing theorem”:
8 Combination of Systems
Consider the situation where the system of interest may be regarded as the
“combination” of two subsystems, 1 and 2. For example, perhaps the system
consists of two atoms. For simplicity of illustration, assume that the states
of system 1 alone form a finite-dimensional Hilbert space H1 , and the states
of system 2 alone form another finite-dimensional Hilbert space H2 . The
combined system is then associated with Hilbert space H = H1 ⊗ H2 . For
example, we may have a two-dimensional space H1 and a three-dimensional
space H2 , with sets of vectors:
α
a
and β , (92)
b
γ
19
(X is an operator on H1 and Y is an operator on H2 ). For example:
x1 x2
x 0 0
1 0 0 3 x4
x1 x2 x1 x2
X ⊗I = ⊗0 1 0
= 0 0
. (94)
x3 x4 x3 x4
0 0 1
x1 x2
0 0
x3 x4
We see that this operator does not mix up the components α, β, γ vectors in
H2 .
Consider now an operator on H of the special form Z = X ⊗ Y . Define
“partial traces” for such an operator according to the mappings:
20
linearity to all operators on H. For example, suppose Z = X1 ⊗ Y1 + X2 ⊗ Y2 .
Then
From the reduced density matrices ρ1 and ρ2 we can form a new density
matrix on H:
ρ12 = ρ1 ⊗ ρ2 . (104)
It contains the same information which ρ1 and ρ2 contain together — ρ12
describes a statistical ensemble for which the variables of subsystem 1 are
completely uncorrelated with the variables of subsystem 2. If ρ is not of
this form (ρ 6= ρ12 ), then ρ describes an ensemble for which there is some
correlation between the variables of the two subsystems.
For the entropy in particular, we have
Proof: We can choose a basis in which ρ1 and ρ2 are diagonal, and in this
basis ρ12 = ρ1 ⊗ ρ2 is also diagonal. Denote the diagonal elements of
ρ1 as di , i.e., di ≡ (ρ1 )ii , and the diagonal elements of ρ2 as δi . Then
the diagonal elements of ρ12 are given by all products of the form di δj ,
where i = 1, 2, . . . , n1 , and j = 1, 2, . . . , n2 , and where n1 and n2 are
21
the dimensions of H1 and H2 , respectively. Thus,
Thus, the entropy for an ensemble (ρ12 ) for which the subsystems are
uncorrelated is just equal to the sum of the entropies of the reduced ensem-
bles for the subsystems. When there are correlations, we should expect an
inequality instead, since in this case ρ contains additional information con-
cerning the correlations, which is not present in ρ1 and ρ2 (ρ12 = ρ1 ⊗ρ2 6= ρ).
Then:
s(ρ12 ) = s(ρ1 ) + s(ρ2 ) ≥ s(ρ), (108)
where equality holds if and only if ρ = ρ12 , that is, if there are no correlations.
It is interesting that this inequality is specific for −x ln x, in the following
sense: Let s(ρ) = Tr [f (ρ)]. If this inequality, including the condition for
equality, holds for all finite-dimensional Hilbert spaces H1 and H2 , and all
density matrices ρ on H = H1 ⊗ H2 , then f (x) = −kx ln x, where k > 0
(and we may take k = 1). Since this inequality appears to be determined
by physical considerations, this becomes a strong argument for the form
s(ρ) = −Tr(ρ ln ρ) for the entropy.
22
9 Some Statistical Mechanics
Consider a Hamiltonian H with point spectrum {ωi ; i = 1, 2, . . .}, bounded
below. The partition function, Z(T ), for temperature T > 0 is defined by:
∞
X
Z(T ) ≡ e−ωk /T . (109)
k=1
We are assuming that this sum converges. The density matrix (or statis-
tical operator) for the canonical distribution is given by:
e−H/T
ρ = ρ(T ) = (110)
Z(T )
∞
1 X
= |kihk|e−ωk /T . (111)
Z(T ) k=1
This makes intuitive sense – our canonical, thermodynamic distribution con-
sists of a mixture of states, with each state receiving a “weight” of exp(−ωk /T ).
Note that
∞ ∞
!
X X
−ωk /T −ωk /T
Z(T ) = e = Tr |kihk|e
k=1 k=1
= Tr e−H/T . (112)
(113)
Hence, Tr [ρ(T )] = 1.
The ensemble average of any observable (self-adjoint operator), Q, in the
canonical ensemble is:
hQiρ = Tr [Qρ(T )] . (114)
For example, the mean energy is:
U = hHiρ
1
= Tr He−H/T
Z(T )
T2
= ∂T Tr e−H/T
Z(T )
T2
= ∂T TrZ(T ) (115)
Z(T )
= T 2 ∂T ln [Z(T )] . (116)
23
The entropy is:
S = −Tr(ρ ln ρ)
( )
e−H/T H
= −Tr − − ln Z(T )
Z(T ) T
U
= + ln [Z(T )] . (117)
T
If we define the Helmholtz free energy, F = −T ln Z, then S = −∂T F .
Alternatively, U = T S + F .
10 Exercises
1. Show that any linear operator in an n-dimensional Euclidean space
may be expressed as an n-term dyad. Show that this may be extended
to an infinite-dimensional Euclidean space.
2. Suppose we have a system with total angular momentum 1. Pick a
basis corresponding to the three eigenvectors of the z-component of
angular momentum, Jz , with eigenvalues +1, 0, −1, respectively. We
are given an ensemble described by density matrix:
2 1 1
1
ρ = 1 1 0.
4
1 0 1
24
6. Let us try to improve our understanding of the discussions on the den-
sity matrix formalism, and the connections with “information” or “en-
tropy” that we have made. Thus, we consider a simple “two-state”
system. Let ρ be any general density matrix operating on the two-
dimensional Hilbert space of this system.
25
By measuring the average values for the basis operators, we can thus
determine the expansion coefficients for ρ.
(a) How many such measurements are required to completely deter-
mine ρ?
(b) If ρ is known to be a pure state, how many measurements are
required?
8. Two scientists (they happen to be twins, named “Oivil” and “Livio”,
but never mind. . . ) decide to do the following experiment: They set
up a light source, which emits two photons at a time, back-to-back in
the laboratory frame. The ensemble is given by:
1
ρ = (|LLihLL| + |RRihRR|), (123)
2
where “L” refers to left-handed polarization, and “R” refers to right-
handed polarization. Thus, |LRi would refer to a state in which photon
number 1 (defined as the photon which is aimed at scientist Oivil, say)
is left-handed, and photon number 2 (the photon aimed at scientist
Livio) is right-handed.
These scientists (one of whom is of a diabolical bent) decide to play a
game with Nature: Oivil (of course) stays in the lab, while Livio treks
to a point a light-year away. The light source is turned on and emits
two photons, one directed toward each scientist. Oivil soon measures
the polarization of his photon; it is left-handed. He quickly makes a
note that his brother is going to see a left-handed photon, sometime
after next Christmas.
Christmas has come and gone, and finally Livio sees his photon, and
measures its polarization. He sends a message back to his brother Oivil,
who learns in yet another year what he knew all along: Livio’s photon
was left-handed.
Oivil then has a sneaky idea. He secretly changes the apparatus, with-
out telling his forlorn brother. Now the ensemble is:
1
ρ = (|LLi + |RRi)(hLL| + hRR|). (124)
2
He causes another pair of photons to be emitted with this new appa-
ratus, and repeats the experiment. The result is identical to the first
experiment.
26
(a) Was Oivil just lucky, or will he get the right answer every time,
for each apparatus? Demonstrate your answer explicitly, in the
density matrix formalism.
(b) What is the probability that Livio will observe a left-handed pho-
ton, or a right-handed photon, for each apparatus? Is there a
problem with causality here? How can Oivil know what Livio is
going to see, long before he sees it? Discuss! Feel free to modify
the experiment to illustrate any points you wish to make.
10. Let us consider a system of N spin-1/2 particles (see the previous prob-
lem) per unit volume in thermal equilibrium, in our external magnetic
field B . Recall that the canonical distribution is:
e−H/T
ρ= , (130)
Z
with partition function:
Z = Tr e−H/T . (131)
Such a system of particles will tend to orient along the magnetic field,
resulting in a bulk magnetization (having units of magnetic moment
per unit volume), M .
(a) Give an expression for this magnetization (don’t work too hard to
evaluate).
(b) What is the magnetization in the high-temperature limit, to lowest
non-trivial order (this I want you to evaluate as completely as you
can!)?
28
Physics 125c
Course Notes
Density Matrix Formalism
Solutions to Problems
040520 Frank Porter
1 Exercises
1. Show that any linear operator in an n-dimensional Euclidean space
may be expressed as an n-term dyad. Show that this may be extended
to an infinite-dimensional Euclidean space.
Solution: Consider operator A in n-dimensional Euclidean space,
which may be expressed as a matrix in a given basis:
n
X
A = aij |ei ihej |
i,j=1
X X
= |ei i aij hej | . (1)
i j
Pn
This is in the form of an n-term dyad A = i=1 |αi ihβi |, with |αi i = |ei i
P
and hβi | = nj=1 aij hej |.
An arbitrary vector in an infinite dimensional Euclidean space may be
expanded in a countable basis according to:
∞
X
|αi = αi |ei i. (2)
i=1
Another way to say this is that the basis is “complete”, with “com-
pleteness relation”: X
I= |ei ihei |. (3)
i
An arbitrary linear operator can thus be defined in terms of its actions
on the basis vectors:
X
A = IAI = |ei ihei |A|ej ihej |. (4)
i,j
1
2. Suppose we have a system with total angular momentum 1. Pick a
basis corresponding to the three eigenvectors of the z-component of
angular momentum, Jz , with eigenvalues +1, 0, −1, respectively. We
are given an ensemble described by density matrix:
2 1 1
1
ρ = 1 1 0.
4
1 0 1
1 ≥ Tr(P1 P2 ) ≥ 0. (7)
3
More generally, expand P1 and P2 with respect to an orthonormal basis
{|ei i}:
X
P1 = aij |ei ihej | (8)
i,j
X
P2 = bij |ei ihej | (9)
i,j
X
P 1 P2 = aik bkj |ei ihej |. (10)
i,j,k
4
Proof: This follows because −x ln x is a concave function of x. Its
second derivative is
d2 d
2
(−x ln x) = (− ln x − 1) = −1/x. (16)
dx dx
For 1 > x > 0 this is always negative; −x ln x is a concave function
for 1 > x > 0. Hence, any point on a straight line between two
points on the curve of this function lies below the curve. The
theorem is for a linear combination of n points on the curve of
−x ln x. Here, x is a weighted average of points xi . The function
−x ln x evaluated at this weighted average point is to be compared
with the weighted average of the values of the function at the n
points x1 , x2 , . . . , xn . Again, the function evaluated at the linear
combination is a point on the curve, and the weighted average of
the function over the n points must lie below that point on the
curve. The region of possible values of the weighted average of the
function is the polygon joining neighboring points on the curve,
and the first and last points. See Fig. 1.
Now we must see how our present problem can be put in the form where
this lemma may be applied. Consider the spectral decompositions of
ρ1 , ρ2 :
X X
ρ1 = ai Pi = ai |ei ihei | (17)
i i
X X
ρ2 = bi Qi = bi |fi ihfi |, (18)
i i
5
f(x)
. .. f(<x>)
. .
<f(x)> .
x1 x2 x3 <x> x4 x
where we have defined another complete orthonormal basis, {|gi i}, cor-
responding to a basis in which ρ is diagonal.
We may expand the {|ei i} and {|fi i} bases in terms of the {|gi i} basis.
For example, let X
|ei i = Aij |gj i, (22)
j
Also,
†
X X
hei | = Aij |gj i = A∗ij hgj |, (24)
j j
6
and hence, XX
|ei ihei | = Aij |gj ihgk |A∗ik . (25)
j k
c` = hg`|ρ|g` i
X X X
= θai A∗ik Aij + (1 − θ)bi ∗
Bik Bij δ`j δ`k (28)
i j,k j,k
Xh i
2 2
= θ|Ai` | ai + (1 − θ)|Bi` | bi . (29)
i
where
(a)
λij ≡ θ|Aji |2 (32)
(b)
λij ≡ (1 − θ)|Bji |2 . (33)
7
Furthermore, X (a) (b)
(λij + λij ) = 1. (34)
j
eij = fi ⊗ gj , i = 1, 2, . . . ; j = 1, 2, . . . . (39)
8
Expand A with respect to basis {eij }:
X
A = Aij,mn |eij ihemn | (40)
i,j,m,n
X
= Aij,mn |fi i ⊗ |gj ihfm | ⊗ hgn | (41)
i,j,m,n
X
= Aij,mn |fi ihfm | ⊗ |gj ihgn | (42)
i,j,m,n
X
= Ak Xk ⊗ Yk , (43)
k
9
where 0 ≤ θ ≤ 1 is the probability that the system is in state 1.
We have a pure state if and only if either θ = 1 or θ = 0.
The entropy is
s = −θ ln θ − (1 − θ) ln(1 − θ). (50)
0.7
0.6
0.5
entropy
0.4
0.3
0.2
0.1
0
0 0.1 0.2 0.3 0.4 0.5 0.6 0.7 0.8 0.9 1
theta
10
in some basis. Prove that VonNeuman’s mixing theorem holds for
this example:
s(ρ) ≥ θs(ρ1 ) + (1 − θ)s(ρ2 ), (53)
with equality iff θ = 0 or θ = 1.
This must be larger than zero if the mixing theorem is correct. This is
equivalent to asking whether
!1−θ/2 !θ/2
θ θ
1− 2θ (59)
2 2
11
is less than 1. This expression may be rewritten as
!1−θ/2
θ
1− (2θ)θ/2 . (60)
2
It must be less than one. To check, let’s find its maximum value, by
setting its derivative with respect to θ equal to 0:
!1−θ/2
d θ
0 = 1− (2θ)θ/2
dθ 2
" ! #
d θ
= exp 1 − ln (1 − θ/2) + (θ/2) ln(2θ)
dθ 2
1 1 1 2
= − ln(1 − θ/2) + ln(2θ) − +
2 2 2 4
= ln(2θ) − ln(1 − θ/2). (61)
By measuring the average values for the basis operators, we can thus
determine the expansion coefficients for ρ.
12
by 2N 2 real parameters. The requirement of Hermiticity provides
the independent constraint equations:
13
parameters to define all the pure states in the arbitrary mixture.
There can be a total of N pure states making up a mixture (the
Nth one required no additional parameters in the count we just
made). It takes N − 1 parameters to specify the relative prob-
abiliteis of these N components in the mixture. Thus, the total
number of parameters required is:
N(N − 1) + (N − 1) = N 2 − 1. (67)
(a) Was Oivil just lucky, or will he get the right answer every time,
for each apparatus? Demonstrate your answer explicitly, in the
density matrix formalism.
Solution: Yup, he’ll get it right, every time, in either case. Let’s
first define a basis so that we can see how it all works with explicit
matrices:
1 0 0 0
0 1 0 0
|LLi = , |LRi = , |RLi = , |RRi = .
0 0 1 0
0 0 0 1
(70)
In this basis the density matrix for the first apparatus is:
1
ρ = (|LLihLL| + |RRihRR|)
2
1 0
1 0 1 0
= (1 0 0 0) + (0 0 0 1)
2 0 2 0
0 1
1 0 0 0
10 0 0 0
= . (71)
2 0 0 0 0
0 0 0 1
15
to:
1 0 0 0
1 0 0 0 0
PL ρ =
. (73)
2 0 0 0 0
0 0 0 0
This corresponds to a pure |LLi state, hence Livio will observe
left-handed polarization.
For the second apparatus, the density matrix is
1
ρ = (|LLi + |RRi)(hLL| + hRR|)
2
1 0 0 1
10 0 0 0
= . (74)
2 0 0 0 0
1 0 0 1
Since T r(ρ2 ) = 1, we know that this is a pure state. Applying the
left-handed projection for Oivil’s photon, we again obtain:
1 0 0 0
10 0 0 0
PL ρ = . (75)
2 0 0 0 0
0 0 0 0
Again, Livio will observe left-handed polarization.
(b) What is the probability that Livio will observe a left-handed pho-
ton, or a right-handed photon, for each apparatus? Is there a
problem with causality here? How can Oivil know what Livio is
going to see, long before he sees it? Discuss! Feel free to modify
the experiment to illustrate any points you wish to make.
Solution: Livio’s left-handed projection operator is
1 0 0 0
0 0 0 0
PL (Livio) =
, (76)
0 0 1 0
0 0 0 0
The probability that Livio will observe a left-handed photon for
the first apparatus is:
hPL (Livio)i = Tr [PL (Livio)ρ] = 1/2. (77)
16
The same result is obtained for the second apparatus.
Here is my take on the philosophical issue (beware!):
If causality means propagation of information faster than the
speed of light, then the answer is “no”, causality is not violated.
Oivil has not propagated any information to Livio at superlumi-
nal velocities. Livio made his own observation on the state of the
system. Notice that the statistics of Livio’s observations are unal-
tered; independent of what Oivil does, he will still see left-handed
photons 50% of the time. If this were not the case, then there
would be a problem, since Oivil could exploit this to propagate a
message to Livio long after the photons are emitted.
However, people widely interpret (and write flashy headlines) this
sort of effect as a kind of “action at a distance”: By measuring the
state of his photon, Oivil instantly “kicks” Livio’s far off photon
into a particular state (without being usable for the propagation
of information, since Oivil can’t tell Livio about it any faster than
the speed of light). Note that this philosophical dilemma is not
silly: The wave function for Livio’s photon has both left- and right-
handed components; how could a measurement of Oivil’s photon
“pick” which component Livio will see? Because of this, quantum
mechanics is often labelled “non-local”.
On the other hand, this philosophical perspective may be avoided
(ignored): It may be suggested that it doesn’t make sense to talk
this way about the “wave function” of Livio’s photon, since the
specification of the wave function involves also Oivil’s photon.
Oivil is merely making a measurement of the state of the two-
photon system, by observing the polarization of one of the pho-
tons, and knowing the coherence of the system. He doesn’t need
to make two measurements to know both polarizations, they are
completely correlated. Nothing is causing anything else to hap-
pen at faster than light speed. We might take the (determinis-
tic?) point of view that it was already determined at production
which polarization Livio would see for a particular photon – we
just don’t know what it will be unless Oivil makes his measure-
ment. There appears to be no way of falsifying this point of view,
as stated. However, taking this point of view leads to to the fur-
ther philosophical question of how the pre-determined information
17
is encoded – is the photon propagating towards Livio somehow
carrying the information that it is going to be measured as left-
handed? This conclusion seems hard to avoid. It leads to the
notion of “hidden variables”, and there are theories of this sort,
which are testable.
We know that our quantum mechanical foundations are compati-
ble with special relativity, hence with the notion of causality that
implies.
As Feynman remarked several years ago in a seminar I arranged
concerning EPR, the substantive question to be asking is, “Do
the predictions of quantum mechanics agree with experiment?”.
So far the answer is a resounding “yes”. Indeed, we often rely
heavily on this quantum coherence in carrying out other research
activities. Current experiments to measure CP violation in B 0
decays crucially depend on it, for example.
µ · B.
H = −µ (79)
18
Recall that the expectation value of an operator may be computed from
the density matrix according to:
To proceed further, we need the density matrix for a state with polar-
ization P . Since ρ is hermitian, it must be of the form:
ρ = a(1 + b · σ ). (89)
But its trace must be one, so a = 1/2. Finally, to get the right polar-
ization vector, we must have b=PP.
Thus, we have
3
( 3
)
dPi 1 X X
i =− γ Bj Tr[σi , σj ] + Pk Tr ([σi , σj ]σk ) . (90)
dt 4 j=1 k=1
19
Now [σi , σj ] = 2iijk σk , which is traceless. Further, Tr ([σi , σj ]σk ) =
4iijk . This gives the result:
X3 X 3
dPi
= −γ ijk Bj Pk . (91)
dt j=1 k=1
10. Let us consider a system of N spin-1/2 particles (see the previous prob-
lem) per unit volume in thermal equilibrium, in our external magnetic
field B . Recall that the canonical distribution is:
e−H/T
ρ= , (93)
Z
with partition function:
Z = Tr e−H/T . (94)
Such a system of particles will tend to orient along the magnetic field,
resulting in a bulk magnetization (having units of magnetic moment
per unit volume), M .
(a) Give an expression for this magnetization (don’t work too hard to
evaluate).
Solution: Let us orient our coordinate system so that the z-axis
is along the magnetic field direction. Then Mx = 0, My = 0, and:
1
Mz = N γhσz i (95)
2
1 h i
= N γ Tr e−H/T σz , (96)
2Z
where H = −γBz σz /2.
(b) What is the magnetization in the high-temperature limit, to lowest
non-trivial order (this I want you to evaluate as completely as you
can!)?
20
Solution: In the high temperature limit, we’ll discard terms
of order higher than 1/T in the expansion of the exponential:
e−H/T ≈ 1 − H/T = 1 + γBz σz /2T . Thus,
1
Mz = N γ Tr [(1 + γBz σz /2T )σz ] (97)
2Z
1
= N γ 2 Bz . (98)
2ZT
Furthermore,
Z = Tre−H/T (99)
= 2 + O(1/T 2 ). (100)
Mz = N γ 2 Bz /4T. (101)
21
Physics 195a
Course Notes
The K 0 : An Interesting Example of a “Two-State” System
021029 F. Porter
1 Introduction
An example of a two-state system is considered. Interesting complexities
involve:
1. Treatment of a decaying particle.
2. Superposition of states with different masses.
1
If we multiply the C operator by the parity operator P , we have:
0
CP |K 0 = |K , (8)
0
CP |K = |K 0 . (9)
0
We thus have, in the |K 0 , |K basis:
0 1
CP = , (10)
1 0
which we may also express in the basis-independent form:
0 0
CP = |K 0 K | + |K K 0 |. (11)
2
0
out the KS0 component of the K 0 meson (likewise for the K ). The 2π decay
mode is favored by phase space over decays to greater numbers of pions.
However, the KL0 → 2π decay is forbidden by CP conservation. Hence, the
KL0 → 3π decay is important for KL0 . Because the phase space is considerably
suppressed, the KL0 decay rate is much slower than the KS0 rate. The observed
lifetimes of the KS0 and KL0 are, respectively:
Thus, the amplitude should have an exp(−ΓS t/2) time dependence, in addi-
tion to the phase variation:
3
This requires some further discussion. For example, how did I know that
0
H is diagonal in this basis (and not, perhaps, in the |K 0 , |K basis)? The
answer is that we are assuming that CP is conserved. Hence, [H, CP ] = 0.
The Hamiltonian cannot mix states of differing CP quantum numbers, so
there are no off-diagonal terms in H in the |KS0 , |KL0 basis. The second
point is that we have allowed the possibility that the masses of the two
CP eigenstates are not the same (having already noted that the lifetimes
are different). This might be a bit worrisome – the C operation does not
0
change mass.1 However, the |KS0 and |K L are not antiparticles of one
another, so there is no constraint that their masses must be equal. So, we
allow the possibility that they may be different. We will address shortly the
measurement of the mass difference.
0
Now suppose that at time t = 0 we have a pure K state:
0
ψ(0) = |K . (22)
4
_
} _
d
_
_ u Λ
_
{
_ d_ s
p u
_
u
_ _
s
d } K0
u
p
{ u d
d
u
d
} n
0
Figure 1: A possible reaction to produce an K meson. The lines indicate
flow of quark flavors from left to right. No interactions are shown. Note that
0
the production of the antibaryon tells us that it is a K , not a K 0 .
5
P 0 (t)
K
0.30
0.25
0.20
0.15
0.10
0.05
0.00
0 5 10 15 20 25 30 35
t/ τ s
0
Figure 2: Upper curve: the K → K 0 oscillation probability as a function of
time (in units of τS ). Lower curve: the oscillation probability if mS = mL .
4 Exercises
0
1. Find the neutral kaon Hamiltonian in the |K 0 , |K basis. Is the
symmetry of your result consistent with the notion that the masses of
particles and antiparticles are the same? Same question for the decay
rates?
2. Repeat the derivation of Eqn. 24, but work in the density matrix for-
malism. We did not consider the possibility of decay when we develped
this formalism, so be careful – you may find that you need to modify
some of our discussion.
3. In this note, we discussed the neutral kaon (K) meson, in particular the
phenomenon of K 0 − K̄ 0 mixing. Let us think about this system a bit
further. The K 0 and K̄ 0 mesons interact in matter, dominantly via the
strong interaction. Approximately, the cross section for an interaction
with a deuteron is:
6
at a kaon momentum of, say, 1.5 GeV. Note that a “barn” is a unit of
area equal to 10−24 cm2 .
7
where, for example, the amplitude f for the K 0 component tra-
versing distance dx is just:
dx
f = e−dx/2λ ≈ 1 − . (32)
2λ
Put all this together and find an expression for the probability to
observe a KS0 to emerge from the deuterium, for a KL0 incident.
Assume that w λ. You may wish to use ∆m ≡ mL − mS ,
ΓS,L ≡ 1/τS,L , and ∆Γ ≡ ΓL − ΓS ≈ −ΓS
(c) Suppose w = 10 cm and γv = 3. What is the probability to
observe a KS0 emerging from the target? What is the probability
to observe a KL0 ? You may use:
8
Physics 195a
Course Notes
The K 0 : An Interesting Example of a “Two-State” System: Solutions to Exercises
021114 F. Porter
1 Exercises
0
1. Find the neutral kaon Hamiltonian in the |K 0 , |K basis. Is the
symmetry of your result consistent with the notion that the masses of
particles and antiparticles are the same? Same question for the decay
rates?
Solution: In the |KS0 , |KL0 basis, the Hamiltonian operator is:
ωS − iΓS /2 0
HSL = . (1)
0 ωL − iΓL /2
0
We wish to make a basis change to the |K 0 , |K basis:
1
Thus,
1 1 1 ωS − iΓS /2 0 1 1 1
HKK = √ √ ,
2 1 −1 0 ωL − iΓL /2 2 1 −1
1 ωS + ωL − i(ΓS + ΓL )/2 ωS − ωL − i(ΓS − ΓL )/2
=
2 ωS − ωL − i(ΓS − ΓL )/2 ωS + ωL − i(ΓS + ΓL )/2
M − iΓ/2 (∆M − i∆Γ/2)/2
= , (6)
(∆M − i∆Γ/2)/2 M − iΓ/2
where M ≡ (ωS + ωL )/2, Γ ≡ (Γs + ΓL )/2, ∆M ≡ MS − ML , and
∆Γ ≡ ΓS − ΓL .
2. Repeat the derivation of Eqn. 24, but work in the density matrix for-
malism. We did not consider the possibility of decay when we develped
this formalism, so be careful – you may find that you need to modify
some of our discussion.
Solution: In the density matrix course note, we had the time evolution
of the density matrix given by:
d
ρ(t) = −i[H, ρ]. (7)
dt
If we blindly use this equation in the present problem, we get a nonsen-
sical result. The problem is that the K 0 ’s are decaying, so the density
matrix no longer corresponds to “conserved” probability content. Thus,
we need to work out the time dependence anew. We repeat the steps
in the density matrix note, but now without assuming H = H † :
d d d
ρ(t) = [|ψ(t)ψ(t)|] = |ψ(t) [|ψ(t)]†
dt dt dt
†
1 1
= H|ψ(t) ψ(t)| + |ψ(t) H|ψ(t)
i i
1
= H|ψ(t)ψ(t)| − |ψ(t)ψ(t)|H †
i
= −i Hρ(t) − ρ(t)H † . (8)
2
where the later representation is in the KS , KL basis. We’ll work in
this basis here, though that isn’t required – we could use the result of
0
exercise 1 and work in the |K 0 , |K basis just as well.
We may write the time-dependent density matrix in the form:
α(t) |α|2 αβ ∗
ρ(t) = |ψ(t)ψ(t)| = ( α∗ (t) β ∗ (t) ) = . (10)
β(t) α∗ β |β|2
Let’s work out the time dependence, knowing that the Hamiltonian is
ωS − iΓS /2 0 S 0
HSL = ≡ . (11)
0 ωL − iΓL /2 0 L
We thus have:
∗
d 1 S 0 |α|2 αβ ∗ |α|2 αβ ∗ S 0
ρ(t) = −
dt i 0 L α∗ β |β|2 α∗ β |β|2 0 L∗
1 (S − S ∗ )|α|2 (S − L∗ )αβ ∗
=
i (L − S ∗ )α∗ β (L − L∗ )|β|2
−ΓS |α|2 −i(S − L∗ )αβ ∗
= . (12)
−i(L − S ∗ )α∗ β −ΓL |β|2
We may integrate this equation to find:
∗ )t
|α(0)|2e−ΓS t α(0)β ∗(0)e−i(S−L
ρ(t) = ∗ . (13)
α (0)β(0)e−i(L−S )t
∗
|β(0)|2e−ΓL t
√ √
Our initial condition is that α(0) = 1/ 2 and β(0) = −1/ 2. Thus,
∗ )t
1 e−ΓS t −e−i(S−L
ρ(t) = ∗ )t . (14)
2 −e−i(L−S e−ΓL t
3
3. In this note, we discussed the neutral kaon (K) meson, in particular the
phenomenon of K 0 − K̄ 0 mixing. Let us think about this system a bit
further. The K 0 and K̄ 0 mesons interact in matter, dominantly via the
strong interaction. Approximately, the cross section for an interaction
with a deuteron is:
at a kaon momentum of, say, 1.5 GeV. Note that a “barn” is a unit of
area equal to 10−24 cm2 .
0.17 g/cm3
ρ# = ρ/md = = 5.08×1022 cm−3 .
1876 MeV × 1.783 × 10−27 g/MeV
(19)
Thus,
1
λ = 2 = 550 cm(20)
36 mb × 10−27 cm /mb × 5.08 × 1022 cm−3
λ̄ = 330 cm. (21)
4
(b) Suppose we have prepared a beam of KL0 mesons, e.g., by first
creating a K 0 beam and waiting long enough for the KS0 compo-
nent to decay away. If we let this KL0 beam traverse a deuterium
target, the K 0 and K̄ 0 components will interact differently, and
we may end up with some KS0 mesons exiting the target. Let us
make an estimate for the size of this effect.
Since the kaon is relativistic, we need to be a little careful com-
pared with our discussion in the note: In the KL0 rest frame, the
amplitude depends on time t∗ according to:
5
|KS0 , |KL0 basis here. There are two pieces to the Hamiltionian
to worry about now.
First, there is the weak interaction piece we have already been
discussing:
S 0
HW = , (26)
0 L
where
Hence,
dψ 1 1 0 1 0
= − √ |K − |K
dx 2 2 λ λ̄
1 1 1 0 1 1 0
= − + |KL + − |KS
4 λ λ̄ λ λ̄
= −a|KL0 + b|KS0 , (30)
where
1 1 1
a ≡ + (31)
4 λ λ̄
1 1 1
b ≡ − (32)
4 λ̄ λ
6
For an initial KS0 we similarly obtain:
dψ
= −a|KS0 + b|KL0 . (33)
dx
Hence, the Hamiltonian driving this transformation is:
d −ia ib
Hd = i = . (34)
dx ib −ia
Note that the diagonal elements are pure imaginary, similar to the
decay terms in HW . This reflects the fact that kaons are actually
being removed in the scattering. Let’s re-express the Hamiltonian
in the form H = H0 + H1 , where
S 0 0 ib
H0 = , H1 = , (35)
0 L ib 0
where
S = (mS − iΓS /2)/γv, (36)
L = (mL − iΓL /2)/γv, (37)
ΓS = ΓS + 2γva, (38)
ΓL = ΓL + 2γva. (39)
Thus, we have absorbed the a terms into effective decay rates for
the kaons.
The Schrödinger equation we wish to solve is:
d
i ψ(x) = (H0 + H1 )ψ(x). (40)
dx
Explicitly, if the KS0 component is α and the KL0 component is β:
d α(x) S α + ibβ
i = . (41)
dx β(x) L β + ibα
Let’s see if we can solve this pair of coupled equations.
The form of these equations suggests we consider a solution of the
form:
α(x) = f (x)e−iS x (42)
β(x) = g(x)e−iL x . (43)
7
We substitute these back into the differential equations, and find
that we may eliminate g(x) and obtain a homogeneous equation
for f (x):
f − i(S − L )f − b2 f = 0. (44)
The solution which satisfies the boundary condition f (0) = 0 is:
−i L
−S
x i i
f (x) = Ae 2 exp (S − L )2 − 4b2 x − exp − (S − L )2 − 4b2 x .
2 2
(45)
Thus,
−i L
+S
x i i
α(x) = Ae 2 exp − − − exp −
(S L )2 4b2 x
(S − L )2 − 4b2 x .
2 2
(46)
We can substitute this back into the equation for β:
1 dα
β(x) = + iS α (47)
b dx
iA −i L +S x i i
i i
= e 2 (L − S ) e 2 R − e− 2 R + R e 2 R + e− 2 R ,
2b
where
R≡ (S − L )2 − 4b2 . (48)
The boundary condition is that
iA
1 = β(0) = R, (49)
b
hence
A = −ib/R. (50)
The probability of seeing a KS0 emerging from the deuterium is
thus
8
Let’s rewrite R in terms of the physical inputs:
R = (S − L )2 − 4b2
= [(mS − iΓS /2) − (mL − iΓL /2)] /(γv)2 − 4b2
= (∆m − i∆Γ/2)2 /(γv)2 − 4b2 . (52)
Hence,
9
Solution: I get:
10
Physics 195a
Course Notes
The Simple Harmonic Oscillator: Creation and Destruction Operators
021105 F. Porter
1 Introduction
The harmonic oscillator is an important model system pervading many areas
in classical physics; it is likewise ubiquitous in quantum mechanics. The non-
relativistic Scrod̈inger equation with a harmonic oscillator potential is readily
solved with standard analytic methods, whether in one or three dimensions.
However, we will take a different tack here, and address the one-dimension
problem more as an excuse to introduce the notion of “creation” and “an-
nihilation” operators, or “step-up” and “step-down” operators. This is an
example of a type of operation which will repeat itself in many contexts,
including the theory of angular momentum.
N ≡ a† a (6)
mω 2 1 2 1
= x + p − , (7)
2 2mω 2
where we have made use of the commutator [x, p] = i. Thus, we may rewrite
the Hamiltonian in the form:
1
H=ω N+ , (8)
2
and our problem is equivalent to finding the eigenvectors and eigenvalues of
N.
2
Thus,
Na|n = a(N − 1)|n = (n − 1)a|n. (15)
We see that a|n is also an eigenvector of N, with eigenvalue n−1. Assuming
|n is normalized, n|n = 1, then
The spectrum of N is thus the set of all non-negative integers. The energy
spectrum is:
1
En = ω n + , n = 0, 1, 2, . . . . (22)
2
We notice two interesting differences between this spectrum and our clas-
sical experience. First, of course, is that the energy levels are quantized.
Second, the ground state energy is E0 = ω/2 > 0. Zero is not an allowed
energy. This lowest energy value is referred to as “zero-point motion”. We
cannot give the particle zero energy and be consistent with the uncertainty
principle, since this would require p = 0 and x = 0, simultaneously.
3
We may give a “physical” intuition to the operators a and a† : The energy
of the oscillator is quantized, in units of ω, starting at the ground state with
energy 12 ω. The a† operator “creates” a quantum of energy when operating on
a state – we call it a “creation operator” (alternatively, a “step-up operator”).
Similarly, the a operator “destroys” a quantum of of energy – we call it a
“destruction operator” (or “step-down”, or “annihilation operator”). This
idea takes on greater significance when we encounter the subject of “second
quantization” and quantum field theory.
4 The Eigenvectors
We have determined the eigenvalues; let us turn our attention now to the
eigenvectors. Notice that we can start with the ground state |0 and generate
all eigenvectors by repeated application of a† :
|1 = a† |0
(a† )2
|2 = √ |0
2
..
.
(a† )n
|n = √ |0. (23)
n!
So, if we can find the ground state wave function, we have a prescription for
determining any other state.
We wish to find the ground state wave function, in the position represen-
tation (for example). If |x represents the amplitude describing a particle at
position x, then x|0 = ψ0 (x) is the ground state wave function in postition
space.1 Consider:
x|a|0 = 0
mω ip
= x| x+ √ |0
2 2mω
mω 1 d
= x+ √ x|0. (24)
2 2mω dx
1
The notion here is that the wave function of a particle
at position x is (proportional
to) a δ-function in position. Hence, ψ0 (x) = x|0 = δ(x − x )ψ0 (x ) dx .
4
Thus, we have the (first order!) differential equation:
d
ψ0 (x) = −mωxψ0 (x), (25)
dx
with solution:
x2
ln ψ0 (x) = −mω + constant. (26)
2
The constant is determined (up to an arbitrary phase) by normalizing, to
obtain:
mω 1/4 1
ψ0 (x) = exp − mωx2 . (27)
π 2
This is a Gaussian form. The Fourier transform of a Gaussian is also a
Gaussian, so the momentum space wave function is also of Gaussian form.
In this case, the position-momentum uncertainty relation is an equality,
∆x∆p = 1/2. This is sometimes referred to as a “minimum wave packet”.
Now that we have the ground state, we may follow our plan to obtain the
excited states. For example,
† mω 1 d
x|1 = x|a |0 = x− √ x|0 (28)
2 2mω dx
(a† )n 1 1 2
ψn (y) = √ ψ0 (n) = √ (y − dy )n 1/4 e−y /2 . (31)
n! 2 n!
n π
5
where Hn is a polynomial, to be determined.
We may derive a recurrence relation which these polynomials satisfy.
First, use
a† 1
ψn+1 (y) = √ ψn (y) = (y − dy )ψn (y), (33)
n+1 2(n + 1)
to obtain:
Hn+1 (y) = 2yHn(y) − dy Hn (y). (34)
On the other hand,
a 1
ψn−1 (y) = √ ψn (y) = √ (y + dy )ψn (y), (35)
n 2n
or,
dy Hn (y) = 2nHn−1 (y). (36)
Combining Eqns. 34 and 36 to eliminate the derivative, we find:
Hn+1 (y) = 2yHn (y) − 2nHn−1(y). (37)
This result is the familiar recurrence relation for the Hermite polynomials
(hence our choice of symbol).
We could go on to determine other properties of these polynomials, such
as Rodrigues’ formula:
2 dn −x2
Hn (x) = (−)n ex e , n = 0, 1, 2, . . . (38)
dxn
But we’ll conclude here only by noting that the harmonic oscillator wave
functions are also eigenstates of parity:
P ψn (x) = ψn (−x) = (−)n ψn (x), (39)
wherer P is the parity (space reflection) operator. This fact shouldn’t be
surprising, since [H, P ] = 0.
In Fig. 1 we show the first five harmonic oscillator wave functions. It is
worth noting several characteristics of these curves, which are representative
of wave functions for one-dimensional potential problems.
• The ground state wave function has no nodes (at finite y); the first
excited state has one node. In general, the n-th wave function has
n − 1 nodes.
6
1.5
1.0
0.5
0.0
-4 -3 -2 -1 0 1 2 3 4
y
-0.5
-1.0
-1.5
Figure 1: The first five harmonic oscillator wave functions, ψ0 (y), . . . , ψ4 (y),
from Eqn. 32. Also shown is the quadratic potential, V (y), for ω = 1/8. The
classical turning point (point of inflection) for ψ4 is projected to the x-axis at
x = 3. The projection is extended to the potential curve, and thence to the
y-axis, where it may be seen that the energy of this state is 9/16 = (4 + 12 )ω.
• Correlating with the increase in nodes, the higher the excited state, the
greater the spatial frequency of the wave function oscillations. This cor-
responds to higher momenta, as expected from the deBroglie relation.
7
surements of the particle’s position and momentum (yielding a real
number) are restricted according to the uncertainty principle such that
no internal contradictions occur.
The point of inflection in the wave function between the classically
allowed and forbidden regions is the “classical turning point” of the
system. This is where the classical momentum is zero, and E = V .
5 Exercises
1. We have noticed some things about the qualitative behavior of wave
functions in our discussion of Fig. 1. Consider the one-dimensional
problem with potential function given by:
0 for |x| ≤ a,
V (x) = (40)
V0 for |x| > a,
(a) Suppose that there are four bound states. Make a qualitative, but
careful, drawing of what you expect the first four wave functions
to look like, in the spirit of Fig. 1.
(b) Make a qualitative drawing for the wave function of a state with
energy above V0 .
8
Physics 195a
Course Notes
The Simple Harmonic Oscillator: Creation and Destruction Operators: Solutions to Exercises
021129 F. Porter
1 Exercises
1. We have noticed some things about the qualitative behavior of wave
functions in our discussion of Fig. ??. Consider the one-dimensional
problem with potential function given by:
0 for |x| ≤ a,
V (x) = (1)
V0 for |x| > a,
where V0 > 0 and a > 0.
(a) Suppose that there are four bound states. Make a qualitative, but
careful, drawing of what you expect the first four wave functions
to look like, in the spirit of Fig. ??.
Solution:
V
0
-a a
x
1
(b) Make a qualitative drawing for the wave function of a state with
energy above V0 .
Solution:
2
(b) Suppose the potential is spherically symmetric. Using the equiva-
lent one-dimensional potential approach, find the eigenvalues and
eigenvectors of H corresponding to the possible values of orbital
angular momentum.
Solution: The spherically symmetric Hamiltonian may be written in
the form:
1 2 1
H= p + mω 2 x2 , (5)
2m 2
Letting ψn (x) = unr(r) Ym (θ, φ), we have the equivalent one-dimensional
Schrödinger equation:
1 d2 1 ( + 1)
− + mω 2 r 2 + un (r) = Eun (r). (6)
2m dr 2 2 2mr 2
3
Thus, we try a solution of the form:
√ 2
v(ρ) = ρ+1 g(ρ)e− λρ /2
, (14)
Letting
g(ρ) = cj ρj , (16)
j=0
we find that cj = 0 for j odd, and for even j we have the recurrence
relation: √
1 − λ(2 + 2j + 3)
cj+2 = cj . (17)
(j + 2)(2 + j + 3)
We already have the asymptotic behavior, so we suppose that the series
stops at j = n, i.e., √
1 = λ(2 + 2n + 3). (18)
Thus, we have the discrete energy spectrum:
ω 3
En = (2 + 2n + 3) = ω n + + . (19)
2 2
Note that n is even.
√
We may now substitute λ = 1/(2 + 2n + 3) and use the recurrence
relation to obtain an expression for coefficient cj :
2(n − j + 2)
cj = cj−2 (20)
(2n + 2 + 3)j(2 + j + 1)
2 (n − j + 2)(n − j + 4)(n − j + 6) · · · (n − j + j)
= c0
(2n + 2 + 3) j(j − 2) · · · 2(2 + j + 1)(2 + j − 1) · · · (2 + 3)
2 n!! 1 (2 + 1)!!
= c0 (21)
(2n + 2 + 3) (n − j)!! j!! (2 + j + 1)!!
4
Putting it all together, we have:
un (r)
ψnm (x) = Ym (θ, φ) (22)
r
vn (kr)
= Ym (θ, φ) (23)
r
(kr)+1 1 (kr)2
= exp − Ym (θ, φ)
r 2 2(n + + 3/2)
n
2 n!! 1 (2 + 1)!! j
c0n ,
(kr)(24)
j=0 (2n + 2 + 3) (n − j)!! j!! (2 + j + 1)!!
5
Course Notes
Solving the Schrödinger Equation: Resolvents
051117 F. Porter
Revision 111109 F. Porter
1 Introduction
Once a system is well-specified, the problem posed in non-relativistic quan-
tum mechanics is to solve the Schrödinger equation. Once the solutions are
known, then any question of interest can in principle be answered, by taking
appropriate expectation values of operators between states made from the
solutions. There are many approaches to obtaining the solutions, analytic,
approximate, partial, and numerical. All have important applications. In
this note, we exam the approach of obtaining analytic solutions using con-
ventional methods of analysis. In particular, we develop a means to apply
the powerful techniques of complex analysis to this problem.
where
1
defined according to:
G(z0 )
G(z) = , (12)
1 + (z0 − z)G(z0 )
and
Q = z + 1/G(z). (13)
If the eigenvectors are written as functions of x ∈ R3 (assuming that
the Hilbert space is L2 (R3 )), we can represent the resolvent as an integral
transform on the wave functions. That is, with
1 X |kihk|
G(z) = = , (14)
Q−z k qk − z
1
The resolvent is sometimes defined with the opposite sign. We shall see eventually
that G(z) also finds motivation in terms of Cauchy’s integral formula.
2
and
|ki = φk (x), (15)
we define
X φk (x)φ∗k (y)
G(x, y; z) = , (16)
k qk − z
so that G operates on a wave function according to
Z
[G(z)ψ] (x) = d3 (y)G(x, y; z)ψ(y). (17)
(∞)
Thus G(x, y; z) is the kernel of an integral transform. We may see that this
correspondence is as claimed as follows: Expand
X
ψ(y) = ψ` φ` (y). (18)
`
Then
Z X φk (x)φ∗k (y) X
d3 (y) ψ` φ` (y)
(∞) k qk − z `
X φk (x) X Z
= ψ` d3 (y)φ∗k (y)φ` (y)
k qk − z ` (∞)
X ψk φk (x)
= . (19)
k qk − z
3
since δ (3) (x − y) is the kernel corresponding to I. This delta-function is thus
symbolic of the relation:
Z
(Qx − z) d(3) (y)G(x, y; z)ψ(y) = ψ(x), (23)
(∞)
This series converges in norm inside any disk |z − z0 | < ρ which does not
intersect Σ(Q). Further, for the nth term in the series, we have
!n
n ρ 1
kG(z0 ) [(z − z0 )G(z0 )] kop ≤ , (27)
ρ0 ρ0
where
1
= kG(z0 )kop = distance [z0 , Σ(Q)] . (28)
ρ0
Since the resolvent is “analytic” we may use contour integration. For exam-
ple, in Fig. 1 we suppose that contour C4 encircles a single, non-degenerate,
eigenvalue q4 . Then
4
z
. . . . ... . q
4
C4
∞
1 Z 1 Z X |kihk|
G(z) dz = dz (29)
2πi C4 2πi C4 k=1 qk − z
1 Z |φ4 ihφ4 |
= dz (30)
2πi C4 q4 − z
!
z − q4
= |φ4 ihφ4 | lim (31)
z→q4 q − z
4
= −|φ4 ihφ4 |. (32)
That is,
1 Z
|φ4 ihφ4 | = − G(z) dz. (33)
2πi C4
The contour integral of G around an eigenvalue of Q gives the projection
onto the one-dimensional subspace of the corresponding eigenvector of Q.
Now suppose that the spectrum of Q is bounded below, i.e., there exists
an α > −∞ such that qk > α, ∀k. Of particular interest is the Hamiltonian,
which has this property. In this case, we may consider a contour which
encircles all eigenvalues, as in Fig. 2: Then we have
1 Z
I=− G(z) dz, (34)
2πi C∞
as may be proven by a limiting process, and noting that convergence is all
right.
According to Cauchy’s integral formula, we can express analytic functions
of Q in terms of contour integrals: Let f (z) be a function which is analytic
5
Ch
h
. . . . . . . .. .
q
1
h
1 Z f (z) dz 1 Z
f (Q) = =− dzf (z)G(z), (35)
2πi C∞ z − Q 2πi C∞
d d
i U (t) = i e−itH = HU (t) (37)
dt dt
U (0) = I. (38)
6
If we know U (x, y; t) then we can solve the time-dependent Schrödinger
equation given any initial wave function. Corresponding to the above differ-
ential equation (Eqn. 37), we have for U (x, y; t):
∞
φk (x)φ∗k (y)qk e−iqk t
X
i∂t U (x, y; t) =
k=1
∞
Hx φk (x)φ∗k (y)e−iqk t
X
=
k=1
= Hx U (x, y; t), (41)
and initial condition
U (x, y; 0) = δ (3) (x − y). (42)
Hence, if ψ(x) is any wave function, then ψ(x; t) defined by:
Z
ψ(x; t) ≡ d3 (y)U (x, y; t)ψ(y) (43)
(∞)
7
and recall ∞
U (t) = e−itH = |kihk|eiqk t .
X
(48)
k=1
and then
d
U (−iτ ) = −HU (−iτ ). (50)
dτ
The corresponding equation for the kernel is thus:
and the e−τ ωk “weight” has unbounded contributions for τ < 0. On the other
hand U (t) = e−itH is a unitary operator for all real t, and hence the entire
Hilbert space is its domain for all real t.
8
partition function:
Z(T ) = Tr e−H/T
= Tr [U (−i/T )] (53)
Z
= d3 (x)U (x, x; −i/T ). (54)
(∞)
5 Practical Matters
We see that the objects G(z), U (z), etc., are potentially very useful tools
towards solving the Schrödinger equation, calculating the partition func-
tion, and perhaps other applications. We’ll also make the connection of
G(z) with perturbation theory later. Let us here address the question of
how one goes about constructing these tools in practice in an explicit prob-
lem. “Closed form” solutions for the Green’s function exist for special cases
(with special symmetries of H), and useful forms can be constructed for
one-dimensional problems (hence also for spherically symmetric problems in
three-dimensions). Otherwise, we can attempt to apply perturbation theory
methods towards obtaining useful approximations.
with boundary condition that the solutions must vanish at the endpoints of
the interval. Let uL (x; z) be a solution satisfying the boundary conditions at
the left endpoint, and let uR (x; z) be a solution satisfying the boundary con-
ditions at the right endpoint. Consider the quantity, called the Wronskian:
W (z) ≡ u0L (x; z)uR (x; z) − uL (x; z)u0R (x; z). (57)
9
We only give the Wronskian a z argument, because it has the remarkable
property that is is independent of x:
dW
= u00L uR − uL u00R
dx
= −2m(z − V )uL uR − uL [−2m(z − V )] uR
= 0. (58)
0 if x < 0,
10
4. If H is self-adjoint, then G(x, y; z) is, in fact, our earlier discussed
Green’s function. It is given by Eqn. 59 for all z (including real z),
not in the spectrum of H. The discrete eigenvalues of H correspond to
poles of G as a function of z. Thus, the bound states can be found by
searching for the poles of G, in a suitably cut complex plane (if H has
a continuous spectrum, we have a branch cut).
1 d2
Hu(x; z) = − u(x; z) = zu(x; z). (64)
2m dx2
We must have uL → 0 as x → −∞, and uR → 0 as x → ∞. Then we have
solutions of the form:
where √
ρ= 2mz. (66)
We select the branch of the square root so that the imaginary part of ρ is
positive, as long as z is not along the non-negative real axis. We know that
the spectrum of H is the non-negative real axis. Thus, we cut the z-plane
along the positive real axis.
To obtain the Wronskian, note that u0L = −iρuL and u0R = iρuR . Evaluate
at x = 0 for convenience: uL (0) = uR (0) = 1. Hence,
√
W (z) = (−iρ) − (iρ) = −2iρ = −2i 2mz. (67)
11
z
Ch
(a)
Ch ρ
(b)
where
i |x − y|
a = q (73)
2 1 (τ + it)
2m
1 1
σ = √ q . (74)
2 1 (τ + it)
2m
12
The integral
√ is now in the form of the integral of a Gaussian, and has the
value 2πσ. Therefore,
1√ 1 2
U (x, y; t − iτ ) = 2π q ea
2π 1
(τ + it)
2m
m(x − y)2
s " #
m
= exp − , (75)
2π(τ + it) 2(τ + it)
√
with Re τ + it > 0.
It is interesting to look at this result for t = 0:
m(x − y)2
" #
m
r
U (x, y, −iτ ) = exp − . (76)
2πτ 2τ
Referring back to our earlier discussion, we see that this gives the solution
to the diffusion equation, or, for example, to the heat conduction problem
(for a homogeneous medium) with an initial heat distribution proportional to
δ(x − y). As time τ increases, the heat propagates out from x = y, spreading
according to a broadening Gaussian.
+
In quantum mechanics, we are √ more interested in the limit τ → 0 . The
only subtle issue is the phase in τ + it. Let
√ √ √
τ + it = Reiθ = Reiθ/2 , (77)
√ →
where R = τ 2 + t2 τ →0 + |t|. Referring to Fig. 4, for t > 0 we have 0 <
θ < π/2, approaching θ = π/2 as τ → 0+ . Similarly, for t < 0 we have
−π/2 < θ < 0, approaching θ = −π/2 as τ → 0+ . Hence,
√ q eiπ/4 = √1 (1 + i), t > 0,
τ + it →τ →0+ |t| −iπ/4 21 (78)
e = √2 (1 − i), t < 0.
Thus,
im(x − y)2
!s " #
1 t m
U (x, y; t) = 1−i exp . (79)
2 |t| 2π|t| 2t
This is the time development transformation for the free particle Schrödinger
equation in one dimension, where we have kept proper track of the phase for
all times.
We may check that the behavior of this transformation is as expected
when we transform by time t, followed by transforming by time −t. The
result ought to be what we started with, i.e., this product should be the
identity. Thus, we consider the product
m im h
i
U (y2 , x; −t)U (x, y1 ; t) = exp (x − y1 )2 − (x − y2 )2 . (80)
2π|t| 2t
13
it
Rei θ
R
θ
τ
Figure 4: Illustration to help in the evaluation of the phase of the free particle
time development transformation.
14
We still have uR (x; z) = eiρx , but now the left boundary condition is uL (0; z) =
0. Hence, a left solution is
where
p2
ωk = , (88)
2m
1
φk (x) = eip·x . (89)
(2π)3/2
15
That is,
1 Z 1
G(x, y; z) = 3
d3 (p) p2 eip·(x−y) . (90)
(2π) (∞) 2m
−z
To evaluate this integral, let us first evaluate another handy integral, the
Fourier transform of the “Yukawa potential”:
Z
e−µr
Y = d3 (x)e−ix·p , where r ≡ |x| (91)
(∞) 4πr
Z ∞Z 1 2π
Z
1
= dφd cos θdrr2 exp(−µr − irp cos θ), where x · p = rp cos θ
0 −1 0 4πr
1Z ∞Z 1
= d cos θdrre−µr e−irp cos θ
2 0 −1
i Z∞
= dre−µr e−irp − eirp
2p 0
!
i 1 1
= −
2p µ + ip µ − ip
1
= . (92)
p + µ2
2
We have selected the branch of the square root function so that Imρ < 0.
We could just as well have selected the branch with Imρ > 0, in which case
the Green’s function is:
eiρ|x−y| √
G(x, y; z) = 2m ; ρ= 2mz. (96)
4π|x − y|
16
6 Perturbation Theory with Resolvents
Let H and H̄ = H + V be self-adjoint operators. The choice of symbol is
motivated by the fact that we are especially interested in the case in which
H is a Hamiltonian, and H̄ is another Hamiltonian related to the first by the
addition of a potential term. We form the resolvents (with z ∈
/ Σ(H), Σ(H̄)):
1
G(z) = (97)
H −z
1 1
Ḡ(z) = = . (98)
H̄ − z H +V −z
Then, noting that
1 1
V = − , (99)
Ḡ(z) G(z)
it may readily be verified that
Ḡ(z) = G(z) − G(z)V Ḡ(z) = G(z) − Ḡ(z)V G(z) (100)
and
Ḡ(z) = G(z) − G(z)V G(z) + G(z)V Ḡ(z)V G(z). (101)
These identities are very important in perturbation theory – if G(z) is known
for Hamiltonian H, then we may learn something about a perturbed Hamil-
tonian H + V .
We could try to iterate these identities still further:
Ḡ(z) = G(z) − Ḡ(z)V G(z)
= G(z) − G(z)V G(z) + Ḡ(z)V G(z)V G(z)
N
[−G(z)V ]n G(z) + (−)N +1 Ḡ(z) [V G(z)]N +1 .
X
= (102)
n=0
17
Proof: Let ψ ∈ H and z ∈
/ Σ(H). Then
1
φ = G(z)ψ = ψ ∈ DH , (105)
H −z
H
since H−z
is a bounded operator. By assumption we have
H
kV φk = kV G(z)ψk < α1 kG(z)ψk + α2 k ψk. (106)
H −z
Since ψ is arbitrary, this implies:
H
kV G(z)kop < α1 kG(z)kop + α2 k kop . (107)
H −z
Let z = x + iy (x, y real). Use
to obtain
1 1 1
kG(z)kop = k kop ≤ = , (109)
H −z x−z
|y|
and
H ω
k kop = sup < 1. (110)
H −z ω∈Σ(H) ω − z
ω
The last part expresses the fact that limω→∞ ω−z = 1.
We thus have
α1
kV G(z)kop < + α2 . (111)
|y|
Since α2 < 1, for large enough y = y0 , say, we have the result
This series is the basis for the Born expansion in scattering theory, as will
be discussed in another note.
Consider now the case where H is the Hamiltonian for force-free motion:
1 2
H=− ∇, x ∈ R3 , (113)
2m
3
If the spectrum of H is bounded below, it will also converge for x < x0 , for small
enough x0 .
18
y
z
y0
-y0
and
Ḡ(z) = G(z) − G(z)V G(z) + G(z)V Ḡ(z)V G(z) (116)
corresponds to:
Z
Ḡ(x, y; z) = G(x, y; z) − d3 (x0 )G(x, x0 ; z)V (x0 )G(x0 , y; z) (117)
(∞)
Z Z
+ d3 (x0 )d3 (y0 )G(x, x0 ; z)V (x0 )Ḡ(x0 , y0 ; z)V (y0 )G(y0 , y; z),
(∞)
19
If ω̄k ∈
/ Σ(H), we may now substitute z = ω̄k to obtain:
Using our free particle Green’s function, Eqn. 96, this corresponds to the
integral equation:
√
2m Z exp i 2mω̄ k |x − y|
φ̄k (x) = − d3 (y) V (y)φ̄k (y). (120)
4π (∞) |x − y|
and this portion of the integrand falls off rapidly as |y| becomes large. This
equation can be more convenient for studying the properties of φ̄k than using
the Schrödinger equation itself.
7 Exercises
1. Prove identities 12 and 13.
2. Prove the power series expansion for resolvent G(z) (Eqn. 26):
∞
[(z − z0 )G(z0 )]n .
X
G(z) = G(z0 )
n=0
1 d2
H=− , (122)
2m dx2
but now in configuration space x ∈ [a, b] (“infinite square well”).
20
(c) Notice that, using
∞
X φk (x)φ∗k (y)
G(x, y; z) = , (123)
k=1 ωk − z
_∞ ∞
_Δ Δ x
21
Make sure that you describe any cuts in the complex plane, and
your selected branch. You may find it convenient to express your
answer to some extent in terms of the force-free Green’s function:
im iρ0 |x−y|
G0 (x, y; z) = e . (128)
ρ
(a) Solve for φ(x; t). Do not go to great effort to simplify your result
in this part – we’ll consider a case with simple cancellations in
part (b).
22
(b) From your answer to part (a), show that, for α = 2:
a2
( " #)
mω 1 mω iω
φ(x; t) = ( ) 4 exp − (x − a cos ωt)2 − t + 2max sin ωt − m sin 2ωt .
π 2 2 2
(131)
You should give some thought to how you might have attacked this
problem using “elementary methods”, without knowing U (x, y; t).
(c) Notice that the choice α = 2 corresponds to an initial state wave
function something like a “displaced” ground state wave function.
Solve for the probability distribution to find the particle at x as
a function of time (for α = 2). Your result should have a simple
form and should have an obvious classical correspondence.
23
Physics 195a
Course Notes
Solving the Schrödinger Equation: Resolvents
Solutions to Exercises
021209 F. Porter
1 Exercises
1. Prove identities (12) and (13).
2. Prove the power series expansion for resolvent G(z) (Eqn. 2):
∞
[(z − z0 )G(z0 )]n .
X
G(z) = G(z0 )
n=0
1
The Green’s function is:
2m
G(x, y; z) ≡ [uL (x; z)uR (y; z)θ(y − x) + uL (y; z)uR (x; z)θ(x − y)] ,
W (z)
(6)
where the Wronskian is
W (z) ≡ u0L (x; z)uR (x; z) − uL (x; z)u0R (x; z). (7)
π2k2
ωk = , k = 1, 2, . . . (11)
2m(b − a)2
2
Solution: We need to evaluate the residue at the pole z = ωk :
−φk (x)φ∗k (y) = lim (z − ωk )G(x, y; z)
z→ωk
(13)
2m
= lim (z − ωk ) (14)
z→ω k ρ sin ρ(b − a)
h
× sin ρ(x − a) sin ρ(b − y)θ(y − x)
i
+ sin ρ(y − a) sin ρ(b − x)θ(x − y) .
Hence, consider
π 2 k2
s
2m 1 (2m)2 (b − a) z − 2m(b−a)2
lim (z − ω k) h√ i = lim h√ i
z→ωk z sin 2mz(b − a) kπ z→ωk
sin 2mz(b − a)
2
= (−1)k . (15)
b−a
Thus,
πk πk
sin (b − y) = sin (b − a + a − y) (16)
b−a b−a
a−y y−a
= sin πk cos πk − sin πk cos πk
b−a b−a
y−1
= (−)k+1 sin πk . (17)
b−a
2 h πk πk
φk (x)φ∗k (y) = (−)k+1 sin (x − a) sin (b − y)θ(y − x) (18)
b−a b−a b−a
πk πk i
+ sin (y − a) sin (b − x)θ(x − y) .
b−a b−a
2 h πk πk
= (−)k+1 sin (x − a) sin (b − y)θ(y − x) (19)
b−a b−a b−a
πk πk i
+ sin (y − a) sin (b − x)θ(x − y) .
b−a b−a
2 h πk πk
= (−)k+1 sin (x − a) sin (y − a)θ(y − x)(−)k+1
b−a b−a b−a
πk πk i
+ sin (y − a) sin (x − a)θ(x − y)(−)k+1 .
b−a b−a
2 πk πk
= sin (x − a) sin (y − a). (20)
b−a b−a b−a
Finally, s
2 πk
φk (x) = sin (x − a). (21)
b−a b−a
3
The normalization may be checked by:
Z b 2 Zb πk
dx|φk (x)|2 = dx| sin (x − a)|2
a b−a a b−a
Z 1
= 2 dy sin2 πky
0
= 1. (22)
To do this, consider,
1 h iρ(x−a) i
sin ρ(x − a) = e − e−iρ(x−a) . (25)
2i
Let =ρ > 0. Then:
1 −iρ(x−a)
sin ρ(x − a) → − e , −a → ∞; (26)
2i
1
sin ρ(b − a) → − e−iρ(b−a) , −a → ∞, b → ∞; (27)
2i
1
sin ρ(y − a) → − e−iρ(y−a) , −a → ∞; (28)
2i
1
sin ρ(b − x) → − e−iρ(b−x) , b → ∞; (29)
2i
1
sin ρ(b − y) → − e−iρ(b−y) , b → ∞. (30)
2i
Hence,
2m e−iρ(b−a)
G(x, y; z) =
ρ −2i
4
h i
× θ(y − x)e−iρ(x−a) e−iρ(b−y) + θ(x − y)e−iρ(b−x) e−iρ(y−a)
mh
r i
= i θ(y − x)eiρ(y−x) + θ(x − y)eiρ(x−y)
r 2z
m iρ|y−x|
= i e , (31)
2z
as hoped.
5
Physics 125
Course Notes
Angular Momentum
040429 F. Porter
1 Introduction
This note constitutes a discussion of angular momentum in quantum mechan-
ics. Several results are obtained, important to understanding how to solve
problems involving rotational symmetries in quantum mechanics. We will of-
ten give only partial proofs to the theorems, with the intent that the reader
complete them as necessary. In the hopes that this will prove to be a useful
reference, the discussion is rather more extensive than usually encountered
in quantum mechanics textbooks.
Theorem: Let Re (θ) be a rotation and let e0 , e00 be two unit vectors per-
pendicular to unit vector e such that e00 is obtained from e0 according
to:
e00 = Re (θ/2)e0 . (15)
Then
Re (θ) = Me00 Me0 = Re00 (π)Re0 (π). (16)
Hence, every rotation is a product of two mirrorings, and also a product
of two rotations by π.
2
M e''
e'
θ /2 M e'
e''
e
x
a
a+b= θ /2
θ/2
b
θ
Re ( θ ) x
1. We have
Re3 (2α3 )Re2 (2α2 )Re1 (2α1 ) = I, (17)
where the unit vectors {ei } are as labelled in the figure.
2. Hence, the product of two rotations is a rotation:
Proof: Use the figure and label M1 the mirror plane spanned by e2 , e3 , etc.
Then we have:
Re1 (2α1 ) = M3 M2
Re2 (2α2 ) = M1 M3
Re3 (2α3 ) = M2 M1 . (19)
3
.e3
Μ1
α
Μ
2
α
. α
e
2
Μ3 . e
1
Thus,
Re3 (2α3 )Re2 (2α2 )Re1 (2α1 ) = (M2 M1 )(M1 M3 )(M3 M2 ) = I. (20)
τ = e tan θ/2
τ 0 = e0 tan θ0 /2
τ 00 = e00 tan θ00 /2, (21)
then
τ 0 + τ 00 + τ 00 × τ 0
τ = . (22)
1 − τ 0 · τ 00
This will be left as an exercise for the reader to prove.
4
Theorem: The most general mapping x → x0 of R3 into itself, such that
the origin is mapped into the origin, and such that all distances are
preserved, is a linear, real orthogonal transformation Q:
Hence,
x0 · y0 = x · y ∀ points x, y ∈ R3 . (24)
For such a mapping, either:
or,
2. det(Q) = −1, Q is called an improper orthogonal transforma-
tion, and is the product of a reflection (parity) and a rotation. In
this case,
and
Ru (θ) = eθu·J = I + (u · J )2 (1 − cos θ) + u · J sin θ, (28)
5
where J = (J1 , J2 , J3 ) with:
0 0 0 0 0 1 0 −1 0
J1 = 0 0 −1 , J2 = 0 0 0 , J3 = 1 0 0 .
0 1 0 −1 0 0 0 0 0
(29)
(u · J )x = u × x, (30)
and
(u · J )2 x = u × (u × x) = u(u · x) − x. (31)
Further,
Note that
h i
Tr [Ru (θ)] = Tr I + (u · J )2 (1 − cos θ) . (33)
With
0 0 0 −1 0 0 −1 0 0
J12 = 0 −1 0 , J22 = 0 0 0 , J32 = 0 −1 0 , (34)
0 0 −1 0 0 −1 0 0 0
we have
Tr [Ru (θ)] = 3 − 2(1 − cos θ) = 1 + 2 cos θ. (35)
This is in agreement with the eigenvalues of Ru (θ) being 1, eiθ , e−iθ .
6
Theorem: (Euler parameterization) Let R ∈ O + (3). Then R can be
represented in the form:
θ
e'
2
e
1
ψ φ
ψ
θ e
2
e'
1
7
We note that e03 does not depend on φ since this first rotation is about
e3 itself. The polar angles of e03 are given precisely by θ and ψ. Hence
θ and ψ are uniquely determined (within the specified ranges, and
up to the ambiguous case mentioned in the theorem) by e03 = Re3 ,
which can be specified to any desired orientation. The angle φ is then
determined uniquely by the orientation of the pair (e01 , e02 ) in the plane
perpendicular to e03 .
We note that the rotation group [O + (3)] is a group of infinite order (or, is
an “infinite group”, for short). There are also an infinite number of subgroups
of O+ (3), including both finite and infinite subgroups. Some of the important
finite subgroups may be classified as:
1. The Dihedral groups, Dn , corresponding to the proper symmetries of
an n-gonal prism. For example, D6 ⊂ O + (3) is the group of rotations
which leaves a hexagonal prism invariant. This is a group of order 12,
generated by rotations Re3 (2π/6) and Re2 (π).
2. The symmetry groups of the regular solids:
(a) The symmetry group of the tetrahedron.
(b) The symmetry group of the octahedron, or its “dual” (replace
vertices by faces, faces by vertices) the cube.
(c) The symmetry group of the icosahedron, or its dual, the dodeca-
hedron.
We note that the tetrahedron is self-dual.
An example of an infinite subgroup of O+ (3) is D∞ , the set of all rotations
which leaves a circular disk invariant, that is, including all rotations about
the normal to the disk, and rotations by π about any axis in the plane of the
disk.
8
e
3
e
1
Figure 4: A hexagonal prism, to illustrate the group D6 .
9
mitian, so is X 0 . If X is traceless then so is X 0 :
This mapping of V3 into itself also preserves the norms, and hence, the scalar
products:
1
(X 0 , X 0 ) = Tr(X 0 X 0 )
2
1
= Tr(uXu†uXu†)
2
= (X, X). (41)
10
where x ∈ R3 . This establishes a 1 : 1 correspondence between elements of
V3 and R3 . We note that
1
Tr [(a · σ )(b · σ )] = a · b, (48)
2
and
3
X 3 X
X
(a · σ )(b · σ ) = ai bi σi2 + ai bj σi σj
i=1 i=1 j6=i
= (a · b)I + i(a × b) · σ . (49)
11
Proof: Note that
i θ θ
ue (θ) = exp − θe · σ = I cos − i(e · σ ) sin . (55)
2 2 2
This may be demonstrated by using the identity (a · σ )(b · σ ) = (a ·
b)I + (a × b) · σ , and letting a = b = e to get (e · σ)2 = I, and using
this to sum the exponential series.
Thus,
x0 · σ = ue (θ)Xu†e (θ)
" # " #
θ θ θ θ
= I cos − i(e · σ ) sin (x · σ ) I cos + i(e · σ ) sin
2 2 2 2
θ θ
= x · σ cos2 + (e · σ )(x · σ )(e · σ ) sin2
2 2
θ θ
+ [−i(e · σ )(x · σ ) + i(x · σ )(e · σ )] sin cos . (56)
2 2
But
(e · σ )(x · σ ) = (e · x)I + i(e × x) · σ (57)
(x · σ )(e · σ ) = (e · x)I − i(e × x) · σ (58)
(e · σ )(x · σ )(e · σ ) = (e · x)(e · σ) + i [(e × x) · σ ] (e · σ )
= (e · x)(e · σ ) + i2 [(e × x) × e] · σ
= 2(e · x)(e · σ ) − x · σ , (59)
where we have made use of the identity (C × B) × A = B(A · C) −
C(A · B) to obtain (e × x) × e = x − e(e · x). Hence,
( )
θ θ
x · σ = cos x + sin2 [2(e · x)e − x] · σ
0 2
2 2
θ θ
+i sin cos [−2i(e × x) · σ ] . (60)
2 2
Equating coefficients of σ we obtain:
θ θ θ θ
x0 = x cos2 + [2(e · x)e − x] sin2 + 2(e × x) sin cos
2 2 2 2
= (e · x)e + [x − (e · x)e] cos θ + (e × x) sin θ
= Re (θ)x. (61)
12
Thus, we have shown that to every rotation Re (θ) corresponds at least
one u ∈ SU (2), and also to every element of SU (2) there corresponds a
rotation. We may restate the theorem just proved in the alternative form:
But x is arbitrary, so
σu† = Re−1 (θ)σ
uσ σ, (63)
or,
u−1σ u = Re (θ)σ
σ. (64)
More explicitly, this means:
3
X
u−1 σi u = Re (θ)ij σj . (65)
j=1
Then u−1
2 u1 commutes with every X ∈ V3 and therefore this matrix must
be a multiple of the identity (left for the reader to prove). Since it is uni-
tary and unimodular, it must equal I or −I. Thus, there is a two-to-one
correspondence between SU (2) and O + (3): To every rotation Re (θ) corre-
sponds the pair ue (θ) and −ue (θ) = ue (θ + 2π). Such a mapping of SU (2)
onto O + (3) is called a homomorphism (alternatively called an unfaithful
representation).
We make this correspondence precise in the following:
Theorem: 1. There is a two-to-one correspondence between SU (2) and
O+ (3) under the mapping:
1
u → R(u), where Rij (u) = Tr(u† σi uσj ), (67)
2
and the rotation Re (θ) corresponds to the pair:
13
2. In particular, the pair of elements {I, −I} ⊂ SU (2) maps to I ∈
O + (3).
3. This mapping is a homomorphism: u → R(u) is a representation
of SU (2), such that
Proof: 1. We have
3
X
u−1 σi u = Re (θ)ij σj . (70)
j=1
or
3
X
†
Tr(u σi uσk ) = Re (θ)ij Tr(σj σk ). (72)
j=1
14
2. Having said that, can we make things even simpler? That is, can we
impose additional restrictions to eliminate the “double-valuedness” in
the above theorem? The answer is no – SU (2) has no subgroup which
is isomorphic with O + 3.
1. Closure: x ∗ y ∈ V.
2. Distributivity:
x ∗ (y + z) = x ∗ y + x ∗ z (75)
(y + z) ∗ x = y ∗ x + z ∗ x. (76)
4. Anti-commutativity:
x ∗ y = −y ∗ x (78)
5. Non-associative (“Jacobi identity”):
x ∗ (y ∗ z) + z ∗ (x ∗ y) + y ∗ (z ∗ x) = 0 (79)
[M 0 , M 00 ] = M 0 M 00 − M 00 M 0 ∈ M, ∀M 0 , M 00 ∈ M. (80)
15
Let’s look at a couple of relevant examples:
1. The set of all real skew-symmetric 3 × 3 matrices is a three-dimensional
Lie algebra. Any such matrix is a real linear combination of the matri-
ces
0 0 0 0 0 1 0 −1 0
J1 = 0 0 −1 , J2 = 0 0 0 , J3 = 1 0 0
0 1 0 −1 0 0 0 0 0
(81)
as defined already earlier. The basis vectors satisfy the commutation
relations:
[Ji , Jj ] = ijk Jk . (82)
We say that this Lie algebra is the Lie algebra associated with the
group O + (3). Recall that
This is the Lie algebra associated with the group SU (2). Recall that
This is also a real Lie algebra, i.e., a vector space over the real field,
even though the matrices are not in general real.
We see that the Lie algebras of O + (3) and SU (2) have the same “struc-
ture”, i.e., a 1 : 1 correspondence can be established between them which is
linear and preserves all commutators. As Lie algrebras, the two are isomor-
phic.
We explore a bit more the connection between Lie algebras and Lie
groups. Let M be an n-dimensional Lie algebra of matrices. Associated
16
with M there is an n-dimensional Lie group G of matrices: G is the matrix
group generated by all matrices of the form eX , where X ∈ M. We see
that O + (3) and SU (2) are Lie groups of this kind – in fact, every element
of either of these groups corresponds to an exponential of an element of the
appropriate Lie algrebra.1
6 Continuity Structure
As a finite dimensional vector space, M has a continuity structure in the
usual sense (i.e., it is a topological space with the “usual” topology). This
induces a continuity structure (topology) on G (for O+ (3) and SU (2), there
is nothing mysterious about this, but we’ll keep our discussion a bit more
general for a while). G is an n-dimensional manifold (a topological space
such that every point has a neighborhood which can be mapped homeo-
morphically onto n-dimensional Euclidean space). The structure of G (its
multiplication table) in some neighborhood of the identity is uniquely deter-
mined by the structure of the Lie algebra M. This statement follows from
the Campbell-Baker-Hausdorff theorem for matrices: If matrices X, Y are
sufficiently “small”, then eX eY = eZ , where Z is a matrix in the Lie algebra
generated by matrices X and Y . That is, Z is a series of repeated commu-
tators of the matrices X and Y . Thus, we have the notion that the local
structure of G is determined solely by the structure of M as a Lie algebra.
We saw that the Lie algebras of O+ (3) and SU (2) are isomorphic, hence
the group O+ (3) is locally isomorphic with SU (2). Note, on the other hand,
that the properties
for all positive integers n, m, are not shared by the Pauli matrices, which
instead satisfy:
(u · σ)3 = u · σ. (88)
Such algebraic properties are outside the realm of Lie algebras (the products
being taken are not Lie products). We also see that (as with O+ (3) and
1
This latter fact is not a general feature of Lie groups: To say that G is generated
by matrices of the form eX means that G is the intersection of all matrix groups which
contain all matrices eX where X ∈ M. An element of G may not be of the form eX .
17
SU (2)) it is possible for two Lie algebras to have the same local structure,
while not being globally isomorphic.
A theorem describing this general situation is the following:
18
We will argue that the appropriate volume element must be of the form:
19
uniquely, up to a set of measure 0 (when θ = 0, π). The integral of function
g(u) on SU (2) is thus:
Z Z 2π Z π Z 4π
1
g(u) = g(u)d(u) = dψ sin θdθ dφg [u(ψ, θ, φ)] , (96)
SU (2) 16π 2 0 0 0
SR 0
R0
20
It may be shown2 that a measure with the desired property exists and is
unique, up to a factor, for any finite-dimensional Lie group. Such a measure
is called a Haar measure. The actual construction of such a measure must
deal with coordinate system issues. For example, there may not be a good
global coordinate system on the group, forcing the consideration of local
coordinate systems.
Fortunately, we have already used our intuition to obtain the measure
(volume element) for the Euler angle parameterization, and a rigorous treat-
ment would show it to be correct. The volume element in other parameter-
izations may be found from this one by suitable Jacobian calculations. For
example, if we parameterize O+ (3) by:
Re (θ) = eθ ·J , (99)
where θ ≡ θe, and |θθ| ≤ π, then the volume element (normalized again to
unit total volume of the group) is:
1 1 − cos θ 3
d(R) = d (θθ), (100)
4π 2 θ2
where d3 (θθ) is an ordinary volume element on R3 . Thus, the group-averaged
value of f (R) is:
Z Z
1 1 − cos θ 3
f (R)d(R) = 2
d (θθ)f eθ ·J (101)
O + (3) 4π O+(3) θ2
Z Z 2π
1 θ ·J
= dΩe (1 − cos θ)dθf e . (102)
4π 2 4π 0
21
8 Unitary Representations of SU (2) (and O+(3))
A unitary representation of SU (2) is a mapping
u ∈ SU (2) → U (u) ∈ U (n) such that U (u0 )U (u00 ) = U (u0 u00 ), ∀u0 , u00 ∈ SU (2).
(104)
That is, we “represent” the elements of SU (2) by unitary matrices (not
necessarily 2 × 2), such that the multiplication table is preserved, either
homomorphically or isomorphically. We are very interested in such mappings,
because they permit the study of systems of arbitrary angular momenta,
as well as providing the framework for adding angular momenta, and for
studying the angular symmetry properties of operators. We note that, for
every unitary representation R → T (R) of O+ (3) there corresponds a unitary
representation of SU (2): u → U (u) = T [R(u)]. Thus, we focus our attention
on SU (2), without losing any generality.
For a physical theory, it seems reasonable to to demand some sort of
continuity structure. That is, whenever two rotations are near each other,
the representations for them must also be close.
Def: A unitary representation U (u) is called weakly continuous if, for any
two vectors φ, ψ, and any u:
w-lim
0
U (u0 ) = U (u), (106)
u →u
s-lim
0
U (u0 ) = U (u), (108)
u →u
22
Strong continuity implies weak continuity, since:
|hφ| [U (u0 ) − U (u)] ψi| ≤ kφkk [U (u0 ) − U (u)] ψk (109)
We henceforth (i.e., until experiment contradicts us) adopt these notions of
continuity as physical requirements.
An important concept in representation theory is that of “(ir)reducibility”:
Def: A unitary representation U (u) is called irreducible if no subspace of
the Hilbert space is mapped into itself by every U (u). Otherwise, the
representation is said to be reducible.
Irreducible representations are discussed so frequently that the jargon “ir-
rep” has emerged as a common substitute for the somewhat lengthy “irre-
ducible representation”.
Lemma: A unitary representation U (u) is irreducible if and only if every
bounded operator Q which commutes with every U (u) is a multiple of
the identity.
Proof of this will be left as an exercise. Now for one of our key theorems:
Theorem: If u → U (u) is a strongly continuous irreducible representation of
SU (2) on a Hilbert space H, then H has a finite number of dimensions.
Proof: The proof consists of showing that we can place a finite upper bound
on the number of mutually orthogonal vectors in H: Let E be any one-
dimensional projection operator, and φ, ψ be any two vectors in H.
Consider the integral:
Z
B(ψ, φ) = d(u)hψ|U (u)EU (u−1 )φi. (110)
SU (2)
23
where
R
we have made use of the Schwarz inequality and of the fact
SU (2) d(u) = 1.
B(ψ, φ) is linear in φ, anti-linear in ψ, and hence defines a bounded
operator B0 such that:
where the second line follows from the invariance of the Haar integral.
Since ψ and φ are arbitrary vectors, we thus have;
Note that the integral cannot be zero, since the integrand is a contin-
uous non-negative definite function of u, and is equal to one for u = I.
24
Thus, we have:
N
X
pN = hφn |pIφn i (122)
n=1
XN Z
= d(u)hφn |U (u)EU (u−1 )φn i (123)
n=1 SU (2)
XN Z
= d(u)hφn |U (u)|φ1 ihφ1 |U (u−1 )φn i (124)
n=1 SU (2)
XN Z
= d(u)hU (u)φ1 |φn ihφn |U (u)φ1 i (125)
n=1 SU (2)
Z N
X
= d(u)hU (u)φ1 | |φn ihφn |U (u)φ1 i (126)
SU (2) n=1
Z
≤ d(u)hU (u)φ1 |I|U (u)φ1 i (127)
SU (2)
Z
≤ d(u)kU (u)φ1 k2 = 1. (128)
SU (2)
(129)
Thus, we have the important result that if U (u) is irreducible, then the
operators U (u) are finite-dimensional unitary matrices. We will not have to
worry about delicate issues that might arise if the situation were otherwise.3
Before actually building representations, we would like to know whether
it is “sufficient” to consider only unitary representations of SU (2).
Def: Two (finite dimensional) representations U and W of a group are called
equivalent if and only if they are similar, that is, if there exists a
fixed similarity transformation S which maps one representation onto
the other:
U (u) = SW (u)S −1 , ∀u ∈ SU (2). (130)
Otherwise, the representations are said to be inequivalent.
3
The theorem actually holds for any compact Lie group, since a Haar integral normal-
ized to one exists.
25
Note that we can think of equivalence as just a basis transformation. The
desired theorem is:
Theorem: Any finite-dimensional (continuous) representation u → W (u) of
SU (2) is equivalent to a (continuous) unitary representation u → U (u)
of SU (2).
Proof: We prove this theorem by constructing the required similarity trans-
formation: Define matrix
Z
P = d(u)W † (u)W (u). (131)
SU (2)
This matrix is positive definite and Hermitian, since the integrand is.
Thus P has a unique positive-definite Hermitian square root S:
√
P = P † > 0 =⇒ P = S = S † > 0. (132)
Now, let u0 , u ∈ SU (2). We have,
h i
W † (u0 )W † (u)W (u) = W † (uu0 )W (uu0 ) W (u−1
0 ). (133)
From the invariance of the Haar integral, we find:
Z h i
W † (u0 )P = d(u) W † (uu0 )W (uu0 ) W (u−1
0 ) (134)
SU (2)
= P W (u−1
0 ), ∀u0 ∈ SU (2). (135)
26
We have laid the fundamental groundwork: It is sufficient to determine all
unitary finite-dimensional irreducible representations of SU (2).
This brings us to some important “tool theorems” for working in group
representaion theory.
Theorem: Let u → D 0 (u) and u → D 00 (u) be two inequivalent irreducible
representations of SU (2). Then the matrix elements of D 0 (u) and D 00 (u)
satisfy: Z
0 00
d(u)Dmn (u)Drs (u) = 0. (138)
SU (2)
Consider (in the sceond line, we use the invariance of the Haar integral
under the substitution u → uu0 ):
Z
0
D (u0 )A0 = d(u)D 0 (u0 u−1 )AD 00 (u)
SU (2)
Z
= d(u)D 0 (u−1 )AD 00 (uu0 )
SU (2)
Z
= d(u)D 0 (u−1 )AD 00 (u)D 00 (u0 )
SU (2)
= A0 D 00 (u0 ), ∀u0 ∈ SU (2). (140)
Then we have:
27
Similarly,
D 00 (u)B 00 = B 00 D 00 (u), ∀u ∈ SU (2). (143)
Thus, B 0 , an operator on V 0 , commutes with all elements of irreducible
representation D0 , and is therefore a multiple of the identity operator
on V 0 : B 0 = b0 I 0 . Likewise, B 00 = b00 I 00 on V 00 .
If A0 6= 0, this can be possible only if N 0 = N 00 , and A0 is non-
singular. But if A0 is non-singular, then D 0 and D00 are equivalent,
since D 0 (u)A0 = A0 D 00 , ∀u ∈ SU (2). But this contradicts the as-
sumption in the theorem, hence A0 = 0. To complete the proof, select
Anr = 1 for any desired n, r and set all of the other elements equal to
zero.
Proof: The proof of this theorem is similar to the preceding theorem. Let
A be an arbitrary d × d matrix, and define
Z
A0 ≡ d(u)D(u−1 )AD(u). (145)
SU (2)
29
Theorem: 1. For any finite-dimensional representation u → D(u) of SU (2):
χ(u0 uu−1
0 ) = χ(u), ∀u, u0 ∈ SU (2). (154)
2.
χ(u) = χ∗ (u) = χ(u−1 ) = χ(u∗ ), ∀u ∈ SU (2). (155)
3. For the irreducible representations u → D j (u) of SU (2):
Z
0 1
d(u)χj (u0 u−1 )D j (u) = δjj 0 D j (u0 ) (156)
SU (2) dj
Z
1
d(u)χj (u0 u−1 )χj 0 (u) = δjj 0 χj (u0 ) (157)
SU (2) dj
Z Z
−1
d(u)χj (u )χ (u) = j0 d(u)χ∗j (u)χj 0 (u) = δjj 0 . (158)
SU (2) SU (2)
= χ(u). (159)
2.
h i h i
χ(u−1 ) = Tr D(u−1 ) = Tr D(u)−1
h i
= Tr (SU (u)S −1 )−1 , where U is a unitary representation,
h i
= Tr S −1 U † (u)S
h i
= Tr U † (u)
= χ∗ (u). (160)
The property χ(u) = χ(u∗ ) holds for SU (2), but not more gener-
ally [e.g., it doesn’t hold for SU (3)]. It holds for SU (2) because
the replacement u → u∗ gives an equivalent representation for
SU (2). Let us demonstrate this. Consider the parameterization:
θ θ
u = ue (θ) = cos I − i sin e · σ . (161)
2 2
30
Now form the complex conjugate, and make the following similar-
ity transformation:
" #
θ θ
σ2 u∗ σ2−1 = σ2 cos I + i sin e · σ ∗ σ2−1
2 2
θ θ
= cos I + i sin [e1 σ2 σ1 σ2 − e2 σ2 σ2 σ2 + e3 σ2 σ3 σ2 ]
2 2
θ θ
= cos I − i sin e · σ
2 2
= u. (162)
to obtain
Z Z X
0 0
d(u)χj (u0 u−1 )Drs
j
(u) = d(u) j
Dnm j
(u0 )Dmn (u−1 )Drs
j
(u)
SU (2) SU (2) m,n
X 1
j
= Dnm (u0 ) δjj 0 δnr δms
m,n dj
1 j
= δjj 0 Drs (u0 ). (165)
dj
31
9 Reduction of Representations
Theorem: Every continuous finite dimensional representation u → D(u) of
SU (2) is completely reducible, i.e., it is the direct sum:
X
D(u) = ⊕D r (u) (167)
r
Proof: It is sufficient to consider the case where D(u) is unitary and re-
ducible. In this case, there exists a proper subspace of the carrier
space of D(u), with projection E 0 , which is mapped into itself by D(u):
32
E 0 (or E 00 ) is reducible, we repeat the process until we have only ir-
reps remaining. The finite dimensionality of the carrier space of D(u)
implies that there are a finite number of steps to this procedure.
Thus, we obtain a set of projections Er such that
X
I = Er (175)
r
Er Es = δrsEr (176)
X
D(u) = Er D(u)Er , (177)
r
Thus,
Z Z " #
X
−1 −1 r
d(u)χj (u )χ(u) = χj (u )Tr ⊕D (u) (180)
SU (2) SU (2) r
= the number of terms in the sum
with D r = D j (181)
= mj . (182)
33
let D 00 (u) be a representation of SU (2) on carrier space V 00 , and assume V 0
and V 00 are finite dimensional. Let V = V 0 ⊗ V 00 denote the tensor product
of V 0 and V 00 .
The representations D0 and D 00 induce a representation on V in a natural
way. Define the representation D(u) on V in terms of its action on any φ ∈ V
of the form φ = φ0 ⊗ φ00 as follows:
Denote this representation as D(u) = D 0 (u) ⊗ D00 (u) and call it the tensor
product of D 0 and D 00 . The matrix D(u) is the Kronecker product of D0 (u)
and D00 (u). For the characters, we clearly have
We can extend this tensor product definition to the product of any finite
number of representations.
0 00
The tensor product of two irreps, D j (u) and D j (u), is in general not
irreducible. We know however, that it is completely reducible, hence a direct
sum of irreps: X
0 00
Dj (u) ⊗ Dj (u) = ⊕Cj 0 j 00 j D j (u). (185)
j
34
2. The character of irrep D j (u) is:
sin 2j+1
2
θ
χj [ue (θ)] = 1 , (187)
sin 2 θ
and
χj (I) = dj = 2j + 1. (188)
3. The representation Dj (u) occurs precisely once in the reduction
of the 2j-fold tensor product (⊗u)2j , and we have:
Z
d(u)χj (u) [Tr(u)]2j = 1. (189)
SU (2)
R
Proof: We take from SU (2) d(u)χ∗j (u)χj 0 (u) = δjj 0 the suggestion that the
characters of the irreps are a complete set of orthonormal functions
on a Hilbert space of class-functions of SU (2) (A class-function is a
function which takes the same value for every element in a conjugate
class).
Consider the following function on SU (2):
1 h i 1 1
ω(u) ≡ 1 − Tr (u − I)† (u − I) = 1 + Tr(u) , (190)
8 2 2
which satisfies the conditions 1 > ω(u) ≥ 0 for u 6= I, and u(I) = 1
(e.g., noting that ue (θ) = cos θ2 I + a traceless piece). Hence, we have
the lemma: If f (u) is a continuous function on SU (2), then
R
SU (2) d(u)f (u) [ω(u)]n
lim R n = f (I). (191)
SU (2) d(u) [ω(u)]
n→∞
Therefore, the irrep Dj (u) occurs in the reduction of the tensor product
(⊗u)n .
35
Next, we apply the Gram-Schmidt process to the infinite sequence
{[Tr(u)]n |n = 0, 1, 2, . . .} of linearly independent class functions on SU (2)
to obtain the orthonormal sequence {Bn (u)|n = 0, 1, 2, . . .} of class
functions:
Z
1 Z 2π θ
d(u)Bn∗ (u)Bm (u) = dθ sin2 Bn∗ [ue3 (θ)] Bm [ue3 (θ)] = δnm ,
SU (2) π 0 2
(193)
1 2 θ
where we have used the measure d(u) = 4π2 dΩe sin 2 dθ and the fact
that, since Bn is a class function, it has the same value for a rotation
by angle θ about any axis.
Now, write
βn (θ) = Bn [ue3 (θ)] = Bn [ue (θ)] . (194)
Noting that
!n n
n θ X n iθ( n2 −m)
[Tr(u)] = 2 cos = e , (195)
2 m=0 m
we may obtain the result
sin [(n + 1)θ/2]
βn (θ) = = Bn [ue (θ)] = Bn∗ [ue (θ)] , (196)
sin θ/2
by adopting suitable phase conventions for the B’s. Furthermore,
Z
0 if n > m,
d(u)Bn∗ (u) [Tr(u)]m = (197)
SU (2) 1 if n = m.
We need to prove now that the functions Bn (u) are characters of the
irreps. We shall prove this by induction on n. First, B0 (u) = 1; B0 (u) is
the character of the trivial one-dimensional identity representation:
D(u) = 1. Assume now that for some integer n0 ≥ 0 the functions
Bn (u) for n = 0, 1, . . . , n0 are all characters of irreps. Consider the
reduction of the representation (⊗u)n0 +1 :
n0
X X
n0 +1
[Tr(u)] = Nn0 ,n Bn (u) + cn0 ,j χj (u), (198)
n=0 j∈Jn0
where Nn0 ,n and cn0 ,j are integers ≥ 0, and the cn0 ,j sum is over irreps
D j such that the characters are not in the set {Bn (u)|n = 0, 1, . . . , n0 }
(j runs over a finite subset of the Jn0 index set).
36
With the above fact that:
Z
0 if n > n0 + 1,
d(u)Bn∗ (u) [Tr(u)]n0 +1 = (199)
SU (2) 1 if n = n0 + 1,
we have, X
Bn0 +1 (u) = cn0 ,j χj (u). (200)
j∈Jn0
But the cn0 ,j are integers, so there is only one term, with cn0 ,j = 1.
Thus, Bn0 +1 (u) is a character of an irrep, and we see that there are a
countably infinite number of (inequivalent) irreducible representations.
Let us obtain the dimensionality of the irreducible representation. The
Bn (u), n = 0, 1, 2, . . . correspond to characters of irreps. We’ll label
these irredusible representations D j (u) according to the 1 : 1 mapping
2j = n. Then
Theorem: Let j1 and j2 index two irreps of SU (2). Then the Clebsch-
Gordan series for the tensor product of these representations is:
j1X
+j2
j1 j2
D (u) ⊗ D (u) = ⊕D j (u). (205)
j=|j1 −j2 |
37
Equivalently,
j1X
+j2 X
χj1 (u)χj2 (u) = χj (u) = Cj1 j2 j χj (u), (206)
j=|j1 −j2 | j
where
Z
Cj1 j2 j = d(u)χj1 (u)χj2 (u)χj (u) (207)
SU (2)
1 iff j1 + j2 + j is an integer, and a triangle can
= be formed with sides j1 , j2 , j, (208)
0 otherwise.
38
To keep things simple, we’ll consider now U (u) = D(u), where D(u) is
a finite-dimensional representation – the appropriate extension to the
general case may be demonstrated, but takes some care, and we’ll omit
it here.
1. The function D[ue (θ)] is (for e fixed), an infinitely differentiable
function of θ. Define the matrices J(ee) by:
( )
∂
J(ee) ≡ i D [ue (θ)] . (211)
∂θ θ=0
Jk → −iJk , k = 1, 2, 3. (215)
39
Proof: (Partial) Consider first the case where D(u) = D j (u) is an irrep. Let
Mj = {m|m = −j, . . . , j}, let e be a fixed unit vector, and define the
operators Fm (ee) (with m ∈ Mj ) by:
1 Z 4π
Fm (ee) ≡ dθeimθ D j [ue (θ)]. (218)
4π 0
and hence,
1 if m ∈ Mj ,
Tr[Fm (ee)] = (223)
0 otherwise.
Therefore, Fm (ee) 6= 0.
We see that the {Fm (ee)} form a set of 2j+1 independent one-dimensional
projection operators, and we can represent the D j (u) by:
j
X
D j [ue (θ)] = e−imθ Fm (ee). (224)
m=−j
and
Dj [ue (θ)] = exp [−iθJ(ee)] , (226)
which is an entire function of θ for fixed e.
40
Since every finite-dimensional continuous representation D(u) is a di-
rect sum of a finite number of irreps, this result holds for any such
representation:
D[ue (θ)] = exp [−iθJ(ee)] . (227)
uw (θ) = ue1 (θw1 )ue2 (θw2 )ue3 (θw3 )ue(θ,w) [α(θ, w )], (228)
w) = w1 J1 + w2 J2 + w3 J3 = w · J.
J(w (230)
Thus,
41
We equate coefficients of the same powers of θ, θ0 . In particular, the
terms of order θθ0 yield the result:
42
(" # )
∂2 j
= −3Tr D [ue3 (θ)] (252)
∂θ2 θ=0
( )
∂2 j
= −3 χ [ue3 (θ)] . (253)
∂θ2 θ=0
11 Standard Conventions
Let’s briefly summarize where we are. We’ll pick some “standard” conven-
tions towards building explicit representations for rotations in quantum me-
chanics.
• The rotation group in quantum mechanics is postulated to be SU (2),
with elements
u = ue (θ) = e− 2 θe·σ ,
i
(259)
describing a rotation by angle θ about vector e , in the clockwise sense
as viewed along e.
43
• O+ (3) is a two to one homomorphism of SU (2):
1
Rmn (u) = Tr(u† σm uσn ). (260)
2
44
where
J± ≡ J1 ± iJ2 . (267)
According to convention, matrices J1 and J3 are real, and matrix J2 is
pure imaginary. The matrix
and thus,
j
X j
Dj (u)|j, mi = Dm 0
0 m (u)|j, m i. (271)
m0 =−j
Let |φi be an element in the carrier space of D j , and let |φ0 i = D j (u)|φi
be the result of applying rotation D j (u) to |φi. We may expand these
vectors in the basis:
X
|φi = φm |j, mi (272)
m
X
|φ0 i = φ0m |j, mi. (273)
m
Then X j
φ0m = Dmm 0 (u)φm0 . (274)
m0
45
• The representation Dj is the symmetrized (2j)-fold tensor product of
1
the representation D 2 = SU (2) with itself. For the standard repre-
sentation, this is expressed by an explicit formula for matrix elements
j
Dm 1 m2
(u) as polynomials of degree 2j in the matrix elements of SU (2):
j
Define the quantities Dm 1 m2
(u) for m1 , m2 = −j, . . . , j by:
hλ∗ |u|ηi2j = (λ1 u11 η1 + λ1 u12 η2 + λ2 u21 η1 + λ2 u22 η2 )2j (276)
X
= (2j)! (277)
m1 ,m2
λj+m
1
1 j−m1 j+m2 j−m2
λ2 η1 η2 j
q Dm 1 m2
(u).
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
j
We defer to later the demonstration that the matrix elements Dm 1 m2
(u)
so defined are identical with the earlier definition for the standard rep-
resentation. A consequence of this formula (which the reader is encour-
aged to demonstrate) is that, in the standard representation,
D j (u∗ ) = D∗j (u) (278)
Dj (uT ) = DjT (u). (279)
Also, noting that u∗ = σ2 uσ2 , we obtain
D∗j (u) = exp(−iπJ2 )D j (u) exp(iπJ2 ), (280)
making explicit our earlier statement that the congugate representation
was equivalent in SU (2) [We remark that this property does not hold
for SU (n), if n > 2].
• We can also describe the standard representation in terms of an ac-
tion of the rotation group on homogeneous polynomials of degree 2j
of complex variables x and y. We define, for each j = 0, 12 , 1, . . ., and
m = −j, . . . , j the polynomial:
xj+m y j−m
Pjm (x, y) ≡ q ; P00 ≡ 1. (281)
(j + m)!(j − m)!
47
the rotation group (that is, we compare with the actions of the standard
representation for J on orthonormal basis |j, mi).
Thus, regarding Pjm (x, y) as our basis, a rotation corresponds to:
X j
D j (u)Pjm (x, y) = Dm 0 m (u)Pjm0 (x, y). (296)
m0
Now,
1 X 1
D 2 (u)P 1 m (x, y) = Dm
2
0 m (u)P 1 m0 (x, y) (297)
2 2
m0
X
= um0 m (u)P 1 m0 (x, y). (298)
2
m0
Or,
uP 1 m (x, y) = u 1 m P 1 1 (x, y) + u− 1 m P 1 − 1 (x, y). (299)
2 2 2 2 2 2 2
Hence,
48
Apply this to
X 1
Pjm (u11 x + u21 y, u12 x + u22 y) = Dm2 0 m (u)P 1 m0 (x, y) : (305)
2
m0
X 1
j
2
Pjm (∂x , ∂y ) Dm 00 m0 (u)P 1 m00 (x, y) = Dmm0 (u). (306)
2
m00
Hence,
j
Dmm 0 (u) = Pjm (∂x , ∂y )Pjm0 (u11 x + u21 y, u12 x + u22 y), (307)
j
and we see that Dmm 0 (u) is a homogeneous polynomial of degree 2j in
49
12 “Special” Cases
We have obtained a general expression for the rotation matrices for an irrep.
Let us consider some “special cases”, and derive some more directly useful
formulas for the matrix elements of the rotation matrices.
1. Consider, in the standard representation, a rotation by angle π about
the coordinate axes. Let ρ1 = exp(−iπσ1 /2) = −iσ1 . Using
j
Dmm 0 (u) = Pjm (∂x , ∂y )Pjm0 (u11 x + u21 y, u12 x + u22 y), (315)
we find:
j
Dmm 0 (ρ1 ) = Pjm (∂x , ∂y )Pjm0 (−iy, −ix), (316)
= Pjm (∂x , ∂y )(−)j Pjm0 (x, y), (317)
= e−iπj δmm0 . (318)
Hence,
exp(−iπJ1 )|j, mi = e−iπj |j, −mi. (319)
Likewise, we define
ρ2 = exp(−iπσ2 /2) = −iσ2 , (320)
ρ3 = exp(−iπσ3 /2) = −iσ3 , (321)
which have the properties:
ρ1 ρ2 = −ρ2 ρ1 = ρ3 , (322)
ρ2 ρ3 = −ρ3 ρ2 = ρ1 , (323)
ρ3 ρ1 = −ρ1 ρ3 = ρ2 , (324)
and hence,
D j (ρ2 ) = D j (ρ3 )D j (ρ1 ). (325)
In the standard representation, we already know that
exp(−iπJ3 )|j, mi = e−iπm |j, mi. (326)
Therefore,
exp(−iπJ2 )|j, mi = exp(−iπJ3 ) exp(−iπJ1 )|j, mi (327)
= exp(−iπJ3 ) exp(−iπj)|j, −mi (328)
= exp(−iπ(j − m))|j, −mi. (329)
50
2. Consider the parameterization by Euler angles ψ, θ, φ:
(here Jk = − 2i σk ) or,
where we have introduced the real functions djm1 m2 (θ) given by:
djm1 m2 (θ) ≡ Dm
j
1 m2
(0, θ, 0) = hj, m1 |e−iθJ2 |j, m2 i. (336)
51
The dj functions are homogeneous polynomials of degree 2j in cos(θ/2)
and sin(θ/2). Note that slightly different conventions from those here
are sometimes used for the big-D and little-d functions.
j
The Dm 1 m2
(u) functions form a complete and essentially orthonormal
basis of the space of square integrable functions on SU (2):
Z δjj 0 δm1 m01 δm2 m02
j 0
∗j
d(u)Dm 1 m2
(u)Dm 0 m0 (u) = . (344)
SU (2) 1 2 2j + 1
1
In terms of the Euler angles, d(u) = 16π 2
dψ sin θdθdφ, and
δjj 0 1 Z 2π Z π Z 4π
= dψ sin θdθ dφ (345)
2j + 1 16π 2 0 0 0
0
ei(m1 ψ+m2 φ) e−i(m1 ψ+m2 φ) djm1 m2 (θ)djm1 m2 (θ) (346)
Z
1 π 0
= sin θdθdjm1 m2 (θ)djm1 m2 (θ). (347)
2 0
52
with the generating function for d00 (θ), obtained from considering the
generating function for the characters of the irreps of SU (2):
X
χj (u)z 2j = 1/(1 − 2τ z + z 2 ), (352)
j
Thus,
h i
R̂(uo )Y`m (ee) = Y`m R−1 (u0 )ee (360)
h i
= Y`m R−1 (u0 )R(u)ee3 (361)
53
h i
= Y`m R(u−1 e3
0 u)e (362)
s
2` + 1 `
= D0m (u−1 u0 ) (363)
4π
s
2` + 1 X `
= D 0 (u−1 )Dm
`
0 m (u0 ) (364)
4π m0 0m
X
`
= Dm e).
0 m (u0 )Y`m0 (e (365)
m0
This shows that the Y`m transform under rotations according to the
|`, mi basis vectors.
We immediately have the following properties:
(a) If J = −ixx × ∇ is the angular momentum operator, then
J3 Y`m (ee) = mY`m (ee) (366)
J2 Y`m (ee) = `(` + 1)Y`m (ee). (367)
54
q
2`+1
(c) We recall that Y`0 (θ, 0) = 4π
P`(cos θ). With
h i X
R(uo )Y`m (ee) = Y`m R−1 (u0 )ee = `
Dm e),
0 m (u0 )Y`m0 (e (371)
m0
we have, for m = 0,
h i X
R(uo )Y`0 (ee) = Y`0 R−1 (u0 )ee = `
Dm e) (372)
0 0 (u0 )Y`m0 (e
m0
s
4π X ∗ 0
= Y 0 (ee )Y`m0 (ee), (373)
2` + 1 m0 `m
and
55
With
θ θ θ
u(0, θ, 0) = e−i 2 σ2 = cos I − i sin σ2 (381)
2 2
cos θ2 − sin 2θ
= , (382)
sin θ2 cos θ2
we have:
56
13 Clebsch-Gordan (Vector Addition) Coef-
ficients
We consider the tensor (or Kronecker) product of two irreps, and its reduction
according to the Clebsch-Gordan series:
j1X
+j2
j1 j2
D (u) ⊗ D (u) = D j (u). (390)
j=|j1 −j2 |
where the latter ket is just the tensor product of the standard basis vectors
|j1 , m1 i and |j2 , m2 i. The coefficients C are the “vector-addition coefficients”,
or “Wigner coefficients”, or, more commonly now, “Clebsch-Gordan (CG)
coefficients”. These coefficients must be selected so that the unit vectors
|j1 j2 ; j, mi transform under rotations according to the standard representa-
tion.
We notice that the CG coefficients relate two systems of orthonormal
basis vectors. Hence, they are matrix elements of a unitary matrix with rows
labeled by the (m1 , m2 ) pair, and columns labeled by the (j, m) pair. Thus,
we have the orthonormality relations:
X
C ∗ (j1 j2 j; m1 m2 m)C(j1 j2 j 0 ; m1 m2 m0 ) = δjj 0 δmm0 , (392)
m1 ,m2
X
C ∗ (j1 j2 j; m1 m2 m)C(j1 j2 j; m01 m02 m) = δm1 m01 δm2 m02 . (393)
j,m
57
We wish to learn more about the CG coefficients, including how to com-
pute them in general. Towards accomplishing this, evaluate the matrix ele-
ments of the Clebsch-Gordan series, with
j1 0 j1 00
Dm 0 m00 (u) = hj1 , m1 |D (u)|j1 , m1 i, (395)
1 1
etc. Thus we obtain the explicit reduction formula for the matrices of the
standard representations:
j1 j2
X
Dm 0 m00 (u)Dm0 m00 (u) = hj1 , m01 ; j2 , m02 | D j (u)|j1 , m001 ; j2 , m002 i (396)
1 1 2 2
j
XX X
= C(j1 j2 j; m01 m02 m0 )hj1 j2 ; j, m0 |D j (u) C ∗ (j1 j2 j; m001 m002 m00 )|j1 j2 ; j, m00 i
j m0 m00
X j
0 0 0 ∗ 00 00 00
= C(j1 j2 j; m1 m2 m )C (j1 j2 j; m1 m2 m )Dm 0 m00 (u). (397)
j,m0 ,m00
∗j
Next, we take this equation, multiply by Dm 0 m00 (u), integrate over SU (2),
(398)
Thus, the CG coefficients for the standard representations are determined by
the matrices in the standard representations, except for a phase factor which
depends on (j1 j2 j) [but not on (m1 m2 m)].
The coefficients vanish unless:
1. j ∈ {|j1 −j2 |, |j1 −j2 |+1, . . . , j1 +j2 } (from the Clebsch-Gordan series).
58
We see that this is zero unless m0 = m01 + m02 and m00 = m001 + m002 , verifying
the above assertion. Hence, we have:
Now, to put things in a more symmetric form, let m03 = −m0 , m003 = −m00 ,
and use
m03 −m00
dj−m
3
0 ,−m00 (θ) = (−)
j
3d 3
m0 ,m00 (θ), (401)
3 3 3 3
The d-functions are real. Thus, we can choose our arbitrary phase in C for
given j1 j2 j3 so that at least one non-zero coefficient is real. Then, according
to this formula, all coefficients for given j1 j2 j3 will be real. We therefore
adopt the convention that all CG coefficients are real.
The right-hand side of Eqn. 402 is highly symmetric. Thus, it is useful
to define the “3-j” symbol (Wigner):
j1 j2 j3 (−)j1 −j2 −m3 C(j1 j2 j3 ; m1 m2 , −m3 )
≡ √ . (403)
m1 m2 m3 2j3 + 1
59
we find that
j1 j2 j3 j1 +j2 +j3 j1 j2 j3
= (−) . (406)
m1 m2 m3 −m1 −m2 −m3
It is interesting to consider the question of which irreps occur in the
symmetric, and in the anti-symmetric, tensor products of Dj with itself:
Theorem:
h i [j]
X
j j
D (u) ⊗ D (u) = D 2j−2n (u), (407)
s
n=0
h i [j− 21 ]
X
D j (u) ⊗ Dj (u) = D 2j−2n−1 (u), (408)
a
n=0
Proof: We prove this by considering the characters. Let S(u) ≡ [D j (u) ⊗ Dj (u)]s ,
and A(u) ≡ [Dj (u) ⊗ Dj (u)]a . Then, by definition,
1 j j j j
S(m01 m02 )(m001 m002 ) = Dm0 m00 Dm 0 m00 + Dm0 m00 Dm0 m00 , (409)
2 1 1 2 2 1 2 2 1
1 j j j j
A(m01 m02 )(m001 m002 ) = Dm0 m00 Dm 0 m00 − Dm0 m00 Dm0 m00 . (410)
2 1 1 2 2 1 2 2 1
(411)
Taking the traces means to set m01 = m001 and m02 = m002 , and sum over
m01 and m02 . This yields
1 2
TrS(u) = [χ (u) + χj (u2 )] (412)
2 j
1 2
TrA(u) = [χ (u) − χj (u2 )]. (413)
2 j
60
2j
X 2j−1
X 2j−2
X
−ikθ −ikθ
= e − e + e−ikθ − . . . (415)
k=−2j k=−2j+1 k=−2j+2
2j
X 2j−n
X
= (−)n e−ikθ (416)
n=0 k=−2j+n
2j
X
= (−)n χ2j−n (u). (417)
n=0
we have
2j
X 2j
X
χ2j (u) = χk (u) = χ2j−n (u). (419)
k=0 n=0
Thus,
2j
1X
TrS(u) = [χ2j−n (u) + (−)n χ2j−n (u)] (420)
2 n=0
[j]
X
= χ2j−2n (u). (421)
n=0
Similarly, we obtain:
[j− 21 ]
X
TrA(u) = χ2j−2n−1 (u). (422)
n=0
(423)
61
But
j1 j1
Dm 0 m00 (u)Dm0 m00 (u) = S(m0 m0 )(m00 m00 ) (u) + A(m0 m0 )(m00 m00 ) (u),
1 2 1 2 1 2 1 2
(424)
1 1 2 2
and the integral of this with D∗j (u) picks the D j piece of this quantity,
which must be either m01 ↔ m02 symmetric or anti-symmetric, according to
the theorem we have just proven. If symmetric, then
|j = 1, m = 1; m1 = 12 , m2 = 12 i, (429)
1
√ |1, 0; 12 , − 12 i + |1, 0; − 12 , 12 i , (430)
2
|1, −1; − 12 , − 12 i, (431)
62
Also,
j j J 2j+J j j J
= (−) , (434)
m1 m2 M m2 m1 M
as well as the corresponding column permutations, e.g.,
j J j 2j+J j J J
= (−) , (435)
m1 M m2 m2 M m1
We’ll skip the proof of this consistency here. The interested reader may
wish to look at T.Regge, Il Nuovo Cimento X (1958) 296; V. Bargmann, Rev.
63
Mod. Phys. 34 (1962) 829. Since Pjm (∂x , ∂y )Pjm0 (x, y) = δmm0 , we obtain
the explicit formula:
j1 j2 j3
= Pj1 m1 (∂x1 , ∂y1 )Pj2 m2 (∂x2 , ∂y2 )Pj3 m3 (∂x3 , ∂y3 )G({k}; {x}, {y}).
m1 m2 m3
(439)
For example consider the special case in which j3 = j1 + j2 (and m3 =
−(m1 + m2 )). In this case, k3 = 0, k1 = j2 , and k2 = j1 . Thus,
j1 j2 j1 + j2
(440)
m1 m2 −m1 − m2
∂xj11+m1 ∂yj11 −m1 ∂xj22+m2 ∂yj22 −m2 ∂xj13+j2 −m1 −m2 ∂yj13 +j2 +m1 +m2
=q
(j1 + m1 )!(j1 − m1 )!(j2 + m2 )!(j2 − m2 )!(j1 + j2 − m1 − m2 )!(j1 + j2 + m1 + m2 )!
(x2 y3 − x3 y2 )2j2 (x3 y1 − x1 y3 )2j1
× q (441)
(2j2 )!(2j1 )!(2j1 + 2j2 + 1)!
v
u
u (2j1 )!(2j2 )!(j1 + j2 − m1 − m2 )!(j1 + j2 + m1 + m2 )!
j1 +j2 +m1 −m2 t
= (−) . (442)
(2j1 + 2j2 + 1)!(j1 + m1 )!(j1 − m1 )!(j2 + m2 )!(j2 − m2 )!
For j1 = j3 = j, j2 = 0, we find
j 0 j (−)j+m
=√ . (443)
m 0 −m 2j + 1
We may easily derive the corresponding formulas for the CG coefficients.
In constructing tables of coefficients, much computation can be saved by
using symmetry relations and orthogonality of states. For example, we have
really already computed the table for the 12 ⊗ 12 = 1 ⊕ 0 case:
C( 12 12 j; m1 m2 m)
j 1 1 0 1
m1 m2 m 1 0 0 -1
1 1
2 2
1
1
√ √
2
− 12 1/ 2 1/ 2
√ √
− 12 1
2
1/ 2 −1/ 2
− 12 − 12 1
64
1 1 3
For 2
⊗1= 2
⊕ 2
we find:
C(1 12 j; m1 m2 m)
3 3 1 3 1 3
j 2 2 2 2 2 2
3 1 1
m1 m2 m 2 2 2
− 12 − 12 − 32
1
1 2
1
√ q
1 − 12 1/ 3 2/3
q √
1
0 2
2/3 −1/ 3
q √
0 − 12 2/3 1/ 3
√ q
1
-1 2
1/ 3 − 2/3
-1 − 12 1
65
14 Wigner-Eckart Theorem
Consider a complex vector space Hop of operators on H which is closed
under U (u)QU −1 (u), where Q ∈ Hop , and U (u) is a continuous unitary
representation of SU (2). We denote the action of an element of the group
SU (2) on Q ∈ Hop by
We have obtained this result by noting that, picking a rotation about the k
axis, with U (u) = exp(−iθJk ),
Hence,
[Jˆk , Jˆ` ] = ik`m Jˆm . (453)
66
q
3. Jˆ− Q(j, m) = [J− , Q(j, m)] = (j + m)(j − m + 1)Q(j, m − 1).
Equivalently,
3
X
2
ĴJ Q(j, m) = (Jˆk )2 Q(j, m) (454)
k=1
X3
= [Jk , [Jk , Q(j, m)]] (455)
k=1
= j(j + 1)Q(j, m), (456)
and X j
U (u)Q(j, m)U −1 (u) = Dm 0
0 m (u)Q(j, m ). (457)
m0
That is, the set of operators Q(j, m) forms a spherical tensor if they
transform under rotations like the basis vectors |jmi in the standard
representation.
For such an object, we conclude that the matrix elements of Q(j, m) must
depend on the m values in a particular way (letting k denote any “other”
quantum numbers describing our state in the situation):
h(j 0 m0 )(k0 )|Q(j, m)|(j 00 m00 )(k00 )i (458)
= “hj 0 m0 |(|jmi|j 00 m00 i)hj 0 , k0 ||Qj ||j 00 , k00 i” (459)
0 00 00 0 00 0 0 0 00 00
= A(j, j , j )C(jj j ; mm m )hj , k ||Qj ||j , k i,(460)
where a common convention lets
0 00
q
A(j, j 0 , j 00 ) = (−)j+j −j / 2j 0 + 1. (461)
The symbol hj 0 , k0 ||Qj ||j 00 , k00 i is called the reduced matrix element of the
tensor Qj . Eqn. 460 is the statement of the “Wigner-Eckart theorem”.
Let us try some examples:
1. Scalar operator: In the case of a scalar operator, there is only one
component:
Q(j, m) = Q(0, 0). (462)
The Wigner-Eckart theorem reads
h(j 0 m0 )(k0 )|Q(0, 0)|(j 00 m00 )(k00 )i (463)
j 0 −j 00
(−)
=√ 0 C(0j 00 j 0 ; 0m00 m0 )hj 0 , k0 ||Q0 ||j 00 , k00 i.(464)
2j + 1
67
But
C(0j 00 j 0 ; 0m00 m0 ) = hj 0 m0 |(|00i|j 00 m00 i) (465)
= δj 0 j 00 δm0 m00 , (466)
and hence,
hj 0 , k0 ||Q0 ||j 00 , k00 i
h(j 0 m0 )(k0 )|Q(0, 0)|(j 00 m00 )(k00 )i = δj 0 j 00 δm0 m00 √ 0 . (467)
2j + 1
The presence of the kronecker deltas tells us that a scalar operator
cannot change the angular momentum of a system, i.e., the matrix
element of the operator between states of differing angular momenta is
zero.
2. Vector operator: For j = 1 the Wigner-Eckart theorem is:
h(j 0 m0 )(k0 )|Q(1, m)|(j 00 m00 )(k00 )i (468)
1+j 0 −j 00
(−)
= √ 0 C(1j 00 j 0 ; mm00 m0 )hj 0 , k0 ||Q1 ||j 00 , k00 i.(469)
2j + 1
Before pursuing this equation with an example, let’s consider the con-
struction of the tensor components of a vector operator. We are given,
say, the Cartesian components of the operator: Q = (Qx , Qy , Qz ). We
wish to find the tensor components Q(1, −1), Q(1, 0), Q(1, 1) in terms
of these Cartesian components, in the standard representation. We
must have:
Jˆ3 Q(j, m) = [J3 , Q(j, m)] = mQ(j, m), (470)
q
Jˆ± Q(j, m) = [J± , Q(j, m)] = (j ∓ m)(j ± m + 1)Q(j, m ± 1).(471)
The Qx , Qy , Qz components of a vector operator obey the commutation
relations with angular momentum:
[Jk , Q` ] = ik`m Qm . (472)
Thus, consistency with the desired relations is obtained if
1
Q(1, 1) = − √ (Qx + iQy ) (473)
2
Q(1, 0) = Qz (474)
1
Q(1, −1) = √ (Qx − iQy ). (475)
2
68
These, then, are the components of a spherical tensor of rank 1, ex-
pressed in terms of Cartesian components.
Now let’s consider the case where Q =JJ, that is, the case in which
our vector operator is the angular momentum operator. To evaluate
the reduced matrix element, we chose any convenient component, for
example, Q(1, 0) = Jz . Hence,
where
1 j0 j0
(479)
0 m −m0
0
= P10 (∂x1 , ∂y1 )Pj 0 m0 (∂x2 , ∂y2 )Pj 0 ,−m0 (∂x3 , ∂y3 )G({k}; {x}, {y})
(480)
0
0 0 2m
= (−)j −m q , (481)
(2j 0 + 2)(2j 0 + 1)2j 0
m0
C(1j 0 j 0 ; 0m0 m0 ) = − q . (482)
j 0 (j 0 + 1)
Inserting the CG coefficients into our expression for the reduced matrix
element, we find
hj 0 , k0 ||J||j 00 , k00 i q
√ 0 = δj 0 j 00 δk0 k00 j 0 (j 0 + 1). (483)
2j + 1
69
q
We see that this expression behaves like hJJ2 i. Plugging back into the
Wigner-Eckart theorem, we find:
15 Exercises
1. Prove the theorem we state in this note:
Hence,
x0 · y0 = x · y ∀ points x, y ∈ R3 . (490)
For such a mapping, either:
70
(a) det(Q) = 1, Q is called a proper orthogonal transformation,
and is in fact a rotation. In this case,
x 0 × y 0 = (x
x × y )0 ∀ points x, y ∈ R3 . (491)
or,
(b) det(Q) = −1, Q is called an improper orthogonal trans-
formation, and is the product of a reflection (parity) and a
rotation. In this case,
x0 × y 0 = −(x
x × y )0 ∀ points x, y ∈ R3 . (492)
[You may wish to make use of the following intuitive lemma: Let
e01 , e02 , e03 be any three mutually perpendicular unit vectors such that:
e 0i = Ru (θ)eei , i = 1, 2, 3. (494)
then:
τ 0 + τ 00 + τ 00 × τ 0
τ = . (498)
1 − τ 0 · τ 00
71
A simple way to prove this theorem is to use SU(2) to represent the
rotations,
i.e., the rotation Re (θ) is represented by the SU(2) matrix
i
exp − 2 θee · σ . You are asked to carry out this proof.
u → v (499)
where
v = SuS −1 . (500)
72
λx. Then consider the vector ux where u is any element of the
group, and x is the eigenvector corresponding to eigenvalue λ.]
(d) Finally, prove the assertion we stated at the beginning of this
problem.
73
Positronium decays when the electron and positron annihilate to pro-
duce photons. The decay process is also electromagnetic, hence also
governed by a Hamiltonian which is invariant under O(3). As a conse-
quence of this symmetry, angular momentum and parity are conserved
in the decay.
(a) We said that parity was a good quantum number for positronium
states. To say just what the parity is, we need to anticipate a
result from the Dirac equation (sorry): The intrinsic parities of
the electron and positron are opposite. What is the parity of
parapositronium? Of orthopositronium?
(b) We wish to know whether positronium can decay into two photons.
Let us check parity conservation. What are the possible parities
of a state of two photons, in the center-of-mass frame? Can you
exclude the decay of positronium to two photons on the basis of
parity conservation?
(c) Let us consider now whether rotational invariance, i.e., conserva-
tion of angular momentum, puts any constraints on the permitted
decays of positronium. Can the orthopositronium state decay to
two photons? What about the parapositronium state?
74
think classically about electromagnetic fields and how they are
produced.] Hence, what is the C-parity of a system of n photons?
(b) It is a bit trickier to figure out the charge conjugation of the
positronium states. Since these are states consisting of a particle
and its antiparticle, we suspect that they may also be eigenstates
of C. But is the eigenvalue positive or negative? To determine
this, we need to know a bit more than we know so far.
Let me give an heuristic argument for the new understanding that
we need. First, although we haven’t talked about it yet, you prob-
ably already know about the “Pauli Exclusion Principle”, which
states that two identical fermions cannot be in the same state.
x1 , S 1 ; x2 , S 2 i.
Suppose we have a state consisting of two electrons, |x
We may borrow an idea we introduced in our discussion of the har-
monic oscillator, and define a “creation operator”, a† (x
x, S ), which
creates an electron at x with spin S . Consider the two-electron
state:
[a† (x
x1 , S 1 )a† (x
x2 , S 2 ) + a† (x
x2 , S 2 )a† (x
x1 , S 1 )]|0i, (501)
where |0i is the “vacuum” state, with no electrons. But this puts
both electrons in the same state, since it is invariant under the in-
terchange 1 ↔ 2. Therefore, in order to satisfy the Pauli principle,
we must have that
a† (x
x1 , S 1 )a† (x
x2 , S 2 ) + a† (x
x2 , S 2 )a† (x
x1 , S 1 ) = 0 (502)
75
state and let C act on it. Relate this back to the original state by
appropriate transformations.]
µ · B.
H = −µ (504)
76
Drawing from our classical intuition, we might expect that in the ex-
ternal magnetic field the polarization vector will exhibit a precession
about the field direction. Let us investigate this.
Recall that the expectation value of an operator may be computed from
the density matrix according to:
Such a system of particles will tend to orient along the magnetic field,
resulting in a bulk magnetization (having units of magnetic moment
per unit volume), M.
(a) Give an expression for this magnetization (don’t work too hard to
evaluate).
(b) What is the magnetization in the high-temperature limit, to lowest
non-trivial order (this I want you to evaluate as completely as you
can!)?
77
9. We have discussed Lie algrebras (with Lie product given by the com-
mutator) and Lie groups, in our attempt to deal with rotations. At one
point, we asserted that the structure (multiplication table) of the Lie
group in some neighborhood of the identity was completely determined
by the structure (multiplication table) of the Lie algebra. We noted
that, however intuitively pleasing this might sound, it was not actually
a trivial statement, and that it followed from the “Baker-Campbell-
Hausdorff” theorem. Let’s try to tidy this up a bit further here.
First, let’s set up some notation: Let L be a Lie algebra, and G be the
Lie group generated by this algebra. Let X, Y ∈ L be two elements of
the algebra. These generate the elements eX , eY ∈ G of the Lie group.
We assume the notion that if X and Y are close to the zero element of
the Lie algebra, then eX and eY will be close to the identity element of
the Lie group.
What we want to show is that the group product eX eY may be ex-
pressed in the form eZ , where Z ∈ L, at least for X and Y not too
“large”. Note that the non-trivial aspect of this problem is that, first,
X and Y may not commute, and second, objects of the form XY may
not be in the Lie algebra. Elements of L generated by X and Y must
be linear combinations of X, Y , and their repeated commutators.
79
10. In an earlier exercise we considered the implication of rotational in-
variance for the decays of positronium states into two photons. Let us
generalize and broaden that discussion here. Certain neutral particles
(e.g., π 0 , η, η 0 ) are observed to decay into two photons, and others (e.g.,
ω, φ, ψ) are not. Let us investigate the selection rules implied by an-
gular momentum and parity conservation (satisfied by electromagnetic
and strong interactions) for the decay of a particle (call it “X”) into
two photons. Thus, we ask the question, what angular momentum J
and parity P states are allowed for two photons?
Set up the problem in the center-of-mass frame of the two photons,
with the z-axis in the direction of one photon. We know that since a
photon is a massless spin-one particle, it has two possible spin states,
which we can describe by its “helicity”, i.e., its spin projection along its
direction of motion, which can take on the values ±1. Thus, a system
of two photons can have the spin states:
(The first arrow refers to the photon in the +z direction, the second
to the photon in the −z direction, and the direction of the arrow in-
dicates the spin component along the z-axis, NOT to the helicity.)
We consider the effect on these states of three operations (which, by
parity and angular momentum conservation, should commute with the
Hamiltonian):
Rx (π)YJJz (Ω)
80
(Note that the Ylm functions are sufficient, since a fermion ob-
viously can’t decay into two photons and conserve angular mo-
mentum – hence X is a boson, and we needn’t consider 12 -integer
spins.)
Make sure that the above statements are intuitively clear to you.
(a) By considering the actions of these operations on our two-photon
states, complete the following table: (one entry is filled in for you)
Note that there may be more than one eigenvalue of Rz (α) for a
given row, corresponding to the different possible values of Jz .
(c) Finally, by using your answers to parts (a) and (b), determine the
allowed and forbidden J P states decaying into two photons, and
the appropriate photonic helicity states for the allowed transitions.
Put your answer in the form of a table:
Parity Spin
0 1 2,4,... 3,5,...
+1
−1 |↑↓ − ↓↑i
81
You have (I hope) just derived something which is often referred to as
“Yang’s theorem”. Note: People often get this wrong, so be careful!
11. We said that if we are given an arbitrary representation, D(u), of
SU (2), it may be reduced to a direct sum of irreps D r (u):
X
D(u) = ⊕D r (u). (520)
r
Prove the following handy formulas for the djm1 m2 (θ) functions:
a) dj∗ j
m1 m2 (θ) = dm1 m2 (θ) (reality of dj functions)
83
c) djm1 m2 (θ) = (−)m1 −m2 djm2 m1 (θ)
14. We would like to consider the (qualitative) effects on the energy levels
of an atom which is moved from freedom to an external potential (a
crystal, say) with cubic symmetry. Let us consider a one-electron atom
and ignore spin for simplicity. Recall that the wave function for the
case of the free atom looks something like Rnl (r)Ylm (θ, φ), and that
all states with the same n and l quantum numbers have the same
energy, i .e., are (2l + 1)-fold degenerate. The Hamiltonian for a free
atom must have the symmetry of the full rotation group, as there are
no special directions. Thus, we recall some properties of this group
for the present discussion. First, we remark that the set of functions
{Ylm : m = −l, −l + 1, · · · , l − 1, l} for a given l forms the basis for a
(2l + l)-dimensional subspace which is invariant under the operations
of the full rotation group. [A set {ψi } of vectors is said to span an
invariant subspace Vs under a given set of operations {Pj } if Pj ψi ∈ Vs
∀i, j.] Furthermore, this subspace is “irreducible,” that is, it cannot be
split into smaller subspaces which are also invariant under the rotation
group.
Let us denote the linear transformation operator corresponding to ele-
ment R of the rotation group by the symbol P̂R , i.e.:
84
The way to think about this equation is to regard the left side as giving
a “rotated function,” which we evaluate at point ~x. The right side tells
us that this is the same as the original function evaluated at the point
R−1~x, where R−1 is the inverse of the rotation matrix corresponding to
rotation R. Since {Ylm } forms an invariant subspace, we must have:
l
X
P̂R Ylm = Ylm0 D l (R)m0 m
0
m =−1
(a) Show that all proper rotations through the same angle ϕ, about
any axis, belong to the same class of the rotation group.
(b) We will need the character table of this group. Since all elements
in the same class have the same character, we pick a convenient
element in each class by considering rotations about the z-axis,
R = (α, z) (means rotate by angle α about the z-axis). Thus:
85
form of a sum, do the sum, expressing your answer in as simple a
form as you can.
(c) At last we are ready to put our atom into a potential with cubic
symmetry. Now the symmetry of the free Hamiltonian is broken,
and we are left with the discrete symmetry of the cube. The
symmetry group of proper rotations of the cube is a group of
order 24 with 5 classes. Call this group “O”.
Construct the character table for O.
(d) Consider in particular how the f -level (l = 3) of the free atom
may split when it is placed in the “cubic potential”. The seven
eigenfunctions which transform according to the irreducible rep-
resentation D 3 of the full group will most likely not transform
according to an irreducible representation of O. On the other
hand, since the operations of O are certainly operations of D, the
eigenfunctions will generate some representation of O.
Determine the coefficients in the decomposition.
D 3 = a1 O1 ⊕ a2 O2 ⊕ a3 O3 ⊕ a4 O4 ⊕ a5 O5 ,
86
electric field of the light beam. That is, the spatial variation in the
plane wave eikx, describing the light beam, may be replaced by the
lowest-order term in its expansion, i.e., by 1. Thus, we need only
consider the interaction of the dipole moment with the electric field of
the light beam, taken to be uniform. The electric dipole moment of
the atom is proportional to exx, where x is the position of the electron
relative to the nucleus. Hence, in the “dipole approximation”, we are
E, where E is the electric field vector
interested in matrix elements of x ·E
of the light beam.
Calculate the following ratios of transition rates in the dipole approxi-
mation:
Γ(|23, 1, 1i → |1, 0, 0i)
a)
Γ(|23, 1, 0i → |1, 0, 0i)
87
17. In our discussion of the Wigner-Eckart theorem, we obtained the re-
duced matrix element for the angular momentum operator: hj 0 k 0 kJkj 00 k 00 i.
This required knowing the Clebsch-Gordan coefficient C(1, j, j; 0, m, m).
By using the general prescription for calculating the 3j symbols we de-
veloped, calculate the 3j symbol
1 j j
,
0 m −m
19. Here is another example of how we can use the rotation matrices to
compute the angular distribution in a decay process. Let’s try another
similar example. Consider a spin one particle, polarized with its angular
momentum along the ±z-axis, with equal probabilities. Suppose it
decays to two spin-1/2 particles, e.g., an electron and a positron.
(a) Such the decay occurs with no orbital angular momentum. What
is the angular distribution of the decay products, in the frame of
the decaying particle?
(b) If this is an electromagnetic decay to e+ e− , and the mass of the
decaying particle is much larger than the electron mass, the sit-
uation is altered, according to relativistic QED. In this case, the
final state spins will be oriented in such a way as to give either
m = 1 or m = −1 along the decay axis, where m is the total
projected angular momentum. What is the angular distribution
of the decay products in this case?
88
Physics 195
Course Notes
Angular Momentum
Solutions to Problems
030131 F. Porter
1 Exercises
1. Prove the theorem we state in this note:
Theorem: The most general mapping x → x of R3 into itself, such
that the origin is mapped into the origin, and such that all dis-
tances are preserved, is a linear, real orthogonal transformation
Q:
x = Qx, where QT Q = I, and Q∗ = Q. (1)
Hence,
x · y = x · y ∀ points x, y ∈ R3 . (2)
For such a mapping, either:
(a) det(Q) = 1, Q is called a proper orthogonal transformation,
and is in fact a rotation. In this case,
x × y = (x
x × y ) ∀ points x, y ∈ R3 . (3)
or,
(b) det(Q) = −1, Q is called an improper orthogonal trans-
formation, and is the product of a reflection (parity) and a
rotation. In this case,
x × y = −(x
x × y ) ∀ points x, y ∈ R3 . (4)
The set of all orthogonal transformations forms a group (denoted
O(3)), and the set of all proper orthogonal transformations forms
a subgroup (O + (3) or SO(3) of O(3)), identical with the set of all
rotations.
[You may wish to make use of the following intuitive lemma: Let
e1 , e2 , e3 be any three mutually perpendicular unit vectors such that:
e3 = e1 × e2 (right-handed system). (5)
1
Then there exists a unique rotation Ru (θ) such that
]
Solution: Let us first show that the scalar product is preserved, under
a mapping which takes the origin to the origin and which preserves
distances. Consider the scalar product between any pair of vectors
x ∈ R3 and y ∈ R3 . Under the mapping, we have:
1
x · y = − [(x − y ) · (x − y ) − x · x − y · y ]
2
1 2
= − d (x , y ) − d2 (x , 0) − d2 (y, 0)
2
1 2
= − d (x, y) − d2 (x, 0) − d2 (y, 0)
2
= x · y. (7)
z · z = Qz · Qz
= a2 x2 + 2ax · y + y2
= a2 (Qx)2 + 2a(Qx) · (Qy) + (Qy)2 . (8)
We can pick out each element of Q in this way, and hence each must
be real.
2
Let us look at orthogonality. We must have
x · x = xT x
= (Qx)T Qx
= xT QT Qx
= xT x. (11)
QT Q = I, (12)
3
Theorem: If Re (θ) = Re (θ )Re (θ ), and defining:
τ = e tan θ/2 (16)
τ = e tan θ /2 (17)
τ = e tan θ /2, (18)
then:
τ + τ + τ × τ
τ = . (19)
1 − τ · τ
A simple way to prove this theorem is to use SU(2) to represent the
rotations,
i.e., the rotation Re (θ) is represented by the SU(2) matrix
i
exp − 2 θee · σ . You are asked to carry out this proof.
Solution: We have
Re (θ) = Re (θ )Re (θ ). (20)
Represent our rotations with the form:
i θ θ
Re (θ) = exp − θee · σ = cos − ie · σ sin . (21)
2 2 2
Thus,
θ θ
cos − ie · σ sin = (22)
2 2
θ θ θ θ
cos − ie · σ sin cos − ie · σ sin
2 2 2 2
θ θ θ θ
= cos cos − e · σ e · σ sin sin
2 2 2 2
θ θ θ θ
−i e · σ cos sin + e · σ cos sin
2 2 2 2
θ θ θ θ
= cos cos − e · e sin sin
2 2 2 2
θ θ θ θ θ θ
−i (e × e ) · σ sin sin + e · σ cos sin + e · σ cos sin ,
2 2 2 2 2 2
(23)
where we have used the identity
e · σ e · σ = e · e + i(e × e ) · σ . (24)
4
The above result may be separated into real and imaginary parts:
θ θ θ θ θ
cos = cos cos − e · e sin sin (25)
2 2 2 2 2
θ θ θ θ θ θ θ
sin = (e × e ) sin sin + e cos sin + e cos sin (26)
.
2 2 2 2 2 2 2
Dividing these two equations gives us a result which may be expressed
in terms of tangents, and thence in the form of the theorem.
u → v (27)
where
v = SuS −1. (28)
5
Solution: The mapping is clearly invertible, hence 1:1. It remains
to show that the multiplication table is preserved. Suppose u3 =
u1 u2 . Under the mapping u → v:
v3 = Su3 S −1 (29)
= Su1 u2 S −1 (30)
= Su1 S −1 Su2 S −1 (31)
= v1 v2 . (32)
(33)
The multiplication table is preserved.
(b) Show that SU(2) is not reducible (i.e., SU(2) is irreducible).
Solution: There are various ways of demonstrating this, including
a “brute-force” calculation. Let us make a simple argument based
on counting degrees-of-freedom. We know that is takes three real
parameters to uniquely specify an element of SU(2). “Block diag-
onal” form for SU(2) means diagonal, i.e., if SU(2) is reducible,
then every element of the group may be represented simultane-
ously by a diagonal matrix. A general diagonal 2 × 2 complex
matrix may be parmeterized by four real numbers. However, the
determinant is preserved under the similarity transformation. Re-
quiring unimodularity reduces the number of degrees of freedom
to only two. This is not sufficient, hence SU(2) is not reducible.
(c) Now prove the following useful lemma: A matrix which commutes
with every element of an irreducible matrix group is a multiple of
the identity matrix. [Hint: Let B be such a matrix commuting
with every element, and consider the eigenvector equation Bx =
λx. Then consider the vector ux where u is any element of the
group, and x is the eigenvector corresponding to eigenvalue λ.]
Solution: Let V be the vector space (“carrier space”) operated
on by the elements of the group, G. Consider Bx = λx. We find
Bux = uBx = λux. (34)
But we assume that our group is irreducible. This means that
there is no invariant subspace of V under the actions of the group.
The set {ux : u ∈ G} thus spans V . Hence, every element of V is
an eigenvector of B, with eigenvalue λ, and therefore B = λI.
6
(d) Finally, prove the assertion we stated at the beginning of this
problem.
Solution: As in the notes, let V3 be the vector space of traceless
2 × 2 traceless Hermitian matrices. Suppose u ∈ SU(2) commutes
with every element of V3 . Any element X of V3 may be written in
the form:
3
X= xi σi . (35)
i=1
We know further that any element g of SU(2) may be expressed
as
3
−iX
g = e = exp −i xi σi (36)
i=1
x
= I cos |x| − i · σ sin |x|. (37)
|x|
Certainly [u, I] = 0, and we are given [u, X] = 0, hence [u, σi ] =
0, i = 1, 2, 3. Thus [u, g] = 0, i.e., u commutes with every element
of SU(2). By part (c), u is therefore a multiple of the identity.
7
of freedom are sufficiently decoupled that the total spin (S) and or-
bital angular momentum (L) are also good quantum numbers for the
energy eigenstates to an excellent approximation. The ground state
of positronium (“parapositronium”) is the 1 S0 state in 2S+1 LJ spectro-
scopic notation, where L = S means zero orbital angular momentum.
Note that the letter “S” in the spectroscopic notation is not the same
as the “S” referring to the total spin quantum number. Sorry about
the confusion, but it’s established tradition. . .
In the ground state, the positron and electron have no relative orbital
angular momentum, and their spins are anti-parallel. The first excited
state (“orthopositronium”) is the 3 S1 state, in which the spins of the
positron and electron are now aligned parallel with each other. The
3
S1 −1 S0 splitting is very small, and is analogous to the “hyperfine”
splitting in normal atoms.
Positronium decays when the electron and positron annihilate to pro-
duce photons. The decay process is also electromagnetic, hence also
governed by a Hamiltonian which is invariant under O(3). As a conse-
quence of this symmetry, angular momentum and parity are conserved
in the decay.
(a) We said that parity was a good quantum number for positronium
states. To say just what the parity is, we need to anticipate a
result from the Dirac equation (sorry): The intrinsic parities of
the electron and positron are opposite. What is the parity of
parapositronium? Of orthopositronium?
Solution: Both states are L = 0, so the spatial wave function
depends only on electron-positron separation, and has no angular
dependence. Thus, the the spatial wave function is even under
parity, and the overall parity is odd due to the opposite intrinsic
parities of the electron and positron. P = −1 for both states.
(b) We wish to know whether positronium can decay into two photons.
Let us check parity conservation. What are the possible parities
of a state of two photons, in the center-of-mass frame? Can you
exclude the decay of positronium to two photons on the basis of
parity conservation?
Solution: The intrinsic parity of the photon, which happens to
be ηγ = −1, doesn’t matter here, since we have two photons,
8
and ηγ2 = +1, independent of whether it is ±1. Since the spin
polarization is unaffected by a spatial reflection, it is only the
spatial wave function we must consider. For S-wave (L = 0)
the spatial wave function does not depend on orientation, and
hence P = +1. For P -wave (L = 1), however, the spatial wave
function is odd under parity (i.e., the spatial wave function has a
Y1m (θ, φ) angular dependence, and P Y1m (θ, φ) = Y1m (π − θ, φ +
π) = −Y1m (θ, φ). So, either parity is possible for a state of two
photons (assuming we can put them in both L = 0 and L = 1
states of angular momentum!), and the decay of positronium may
not be excluded on this basis.
(c) Let us consider now whether rotational invariance, i.e., conserva-
tion of angular momentum, puts any constraints on the permitted
decays of positronium. Can the orthopositronium state decay to
two photons? What about the parapositronium state?
Solution: Align a coordinate system so that the z-axis is along
the decay direction, in the center-of-mass frame. Since photons
carry a spin of ±1 along their direction of motion, the total spin
along the z-axis must be either Sz = 0 or Sz = 2. The orbital
angular momentum must be zero along the direction of motion,
Lz = 0. Thus, the total angular momentum projection along z is
either Jz = 0 or Jz = 2. By conservation of angular momentum,
we cannot have a system with angular momentum 0 or 1 decay
into a state with Jz = 2, so we exclude this possibility henceforth.
If Jz = 0, then the two photons must have spin projections which
are opposite along z: S1z = −S2z . Consider a rotation, Ry (π)
about the y-axis by angle π. This simply interchanges the two
photons, which results in a state indistinguishable from the state
before the rotation.
Now consider the effect of Ry (π) on the positronium state. On the
J = 0 state, the rotation has no effect, since the state is invariant
with respect to orientation. However, the J = 1 state must change
sign under this rotation, since it must have Jz = 0, and hence must
have a wave functions which transforms under rotations according
9
to Y10 (θ, φ). That is,
3 3
Ry (π)Y10 (θ, φ) = Ry (π) cos θ = cos(π − θ) = −Y10 (θ, φ).
4π 4π
(38)
Thus, we find that the parapositronium decay to two photons is
permitted, as far as we have checked (it is observed experimen-
tally), but the orthopositronium decay to two photons is forbidden
by rotational invariance.
10
of C. But is the eigenvalue positive or negative? To determine
this, we need to know a bit more than we know so far.
Let me give an heuristic argument for the new understanding that
we need. First, although we haven’t talked about it yet, you prob-
ably already know about the “Pauli Exclusion Principle”, which
states that two identical fermions cannot be in the same state.
x1 , S 1 ; x2 , S 2 .
Suppose we have a state consisting of two electrons, |x
We may borrow an idea we introduced in our discussion of the har-
monic oscillator, and define a “creation operator”, a† (xx, S ), which
creates an electron at x with spin S . Consider the two-electron
state:
[a† (x
x1 , S 1 )a† (x
x2 , S 2 ) + a† (x
x2 , S 2 )a† (x
x1 , S 1 )]|0, (39)
a† (x
x1 , S 1 )a† (x
x2 , S 2 ) + a† (x
x2 , S 2 )a† (x
x1 , S 1 ) = 0 (40)
x1 , S 1 ), ē(x
ψ = |e(x x2 , S 2 ) (41)
11
Operating with C gives:
Cψ = |ē(x x2 , S 2 )
x1 , S 1 ), e(x (42)
Now we need to relate this back to the original state to determine
the eigenvalue. First, according to the above discussion, let us
interchange the electron and positron:
x2 , S 2 ), ē(x
Cψ = −|e(x x1 , S 1 ) (43)
Now, consider the interchange of the spatial coordinates. This has
no effect on our S-wave wave functions, but more generally gives
a factor of (−1)L :
Cψ = −(−1)L |e(x
x1 , S 2 ), ē(x
x2 , S 1 ). (44)
Finally, we need to exchange the spins. Our positronium states
are labelled with total spin quantum numbers (S S = S1 + S2 ).
The S = 1 state is obtained when the positron and electron spins
are aligned with each other. This spin state is symmetric with
respect to the interchange of the two spins. In order to obtain
an orthogonal spin state then, the S = 0 state must be anti-
symmetric under spin interchage. We may summarize by saying
that the possible spin states have an interchange symmetry given
by the factor −(−1)S . Thus,
Cψ = (−1)L+S |e(x
x1 , S 1 ), ē(x
x2 , S 2 ). (45)
12
(a) Is ρ a permissible density matrix? Give your reasoning. For the
remainder of this problem, assume that it is permissible. Does it
describe a pure or mixed state? Give your reasoning.
(b) Given the ensemble described by ρ, what is the average value of
Jz ?
(c) What is the spread (standard deviation) in measured values of Jz ?
µ · B.
H = −µ (47)
A = Tr(ρA). (49)
13
What is the time evolution, dP/dt, of the polarization vector? Express
your answer as simply as you can (more credit will be given for right
answers that are more physically transparent than for right answers
which are not). Note that we make no assumption concerning the
purity of the state.
Solution: Let us consider the ith-component of the polarization:
dPi d
σi
i = i (51)
dt dt
∂
= i Tr(ρσi ) (52)
∂t
∂ρ
= iTr σi (53)
∂t
= Tr ([H, ρ]σi ) (54)
= Tr ([σi , H]ρ) (55)
3
1
= − γ Bj Tr ([σi , σj ]ρ) . (56)
2 j=1
To proceed further, we need the density matrix for a state with polar-
ization P. Since ρ is hermitian, it must be of the form:
ρ = a(1 + b · σ ). (57)
But its trace must be one, so a = 1/2. Finally, to get the right polar-
ization vector, we must have b = P.
Thus, we have
3
3
dPi 1
i =− γ Bj Tr[σi , σj ] + Pk Tr ([σi , σj ]σk ) . (58)
dt 4 j=1 k=1
14
8. Let us consider a system of N spin-1/2 particles (as in the previous
problem) per unit volume in thermal equilibrium, in our external mag-
netic field B. [Even though we refer to the previous exercise, the solu-
tion to this problem does not require solving the previous one.] Recall
that the canonical distribution is:
e−H/T
ρ= , (61)
Z
with partition function:
Z = Tr e−H/T . (62)
Such a system of particles will tend to orient along the magnetic field,
resulting in a bulk magnetization (having units of magnetic moment
per unit volume), M.
(a) Give an expression for this magnetization (don’t work too hard to
evaluate).
Solution: Let us orient our coordinate system so that the z-axis
is along the magnetic field direction. Then Mx = 0, My = 0, and:
1
Mz = N γ
σz (63)
2
1
= Nγ Tr e−H/T σz , (64)
2Z
where H = −γBz σz /2.
(b) What is the magnetization in the high-temperature limit, to lowest
non-trivial order (this I want you to evaluate as completely as you
can!)?
Solution: In the high temperature limit, we’ll discard terms
of order higher than 1/T in the expansion of the exponential:
e−H/T ≈ 1 − H/T = 1 + γBz σz /2T . Thus,
1
Mz = Nγ Tr [(1 + γBz σz /2T )σz ] (65)
2Z
1
= Nγ 2 Bz . (66)
2ZT
15
Furthermore,
Z = Tre−H/T (67)
= 2 + O(1/T 2). (68)
Mz = Nγ 2 Bz /4T. (69)
eZ = eX+Y (70)
16
behaves just like an expansion in ordinary numbers, and hence
eX eY = eX+Y , and of course Z = X + Y is an element of the
algebra.
(b) Now suppose that X and Y may not commute, but that they are
very close to the zero element. Keeping terms to quadratic order
in X and Y , show once again that the product eX eY is of the form
eZ , where Z is an element of L. Give an explicit expression for Z.
Solution: We expand:
X Y X2 Y2
e e = 1+X + + O(3) 1 + Y + + O(3) (71)
2! 2!
X2 Y 2
= 1+X +Y + + + XY + O(3) (72)
2! 2!
and
(X + Y )2
eX+Y = 1 + (X + Y ) + + O(3) (73)
2!
X2 Y 2 1
= 1+X +Y + + + XY − [X, Y ] + O(3).
2! 2! 2
Thus,
1
eX eY = eX+Y + 2 [X,Y ]+O(3) , (74)
and Z = X + Y + 12 [X, Y ] ∈ L.
(c) Finally, for more of a challenge, let’s do the general theorem: Show
that eX eY is of the form eZ , where Z is an element of L, as long
as X and Y are sufficiently “small”. We won’t concern ourselves
here with how “small” X and Y need to be – you may investigate
that at more leisure.
Here are some hints that may help you: First, we remark that the
differential equation
df
= Xf (u) + g(u), (75)
du
where X ∈ L, and letting f (0) = f0 , has the solution:
u
uX
f (u) = e f0 + e(u−v)X g(v)dv. (76)
0
17
This can be readily verified by back-substitution. If g is indepen-
dent of u, then the integral may be performed, with the result:
Where, formally,
euX − 1
h(u, X) = . (78)
X
Second, if X, Y ∈ L, then
The series:
ln z z − 1 (z − 1)2
5(z) = =1− + −··· (84)
z−1 2 3
plays a role in the explicit form for the result. Again, you are not
asked to worry about convergence issues.
18
Solution: With Z(u) as just defined, consider:
d −Z(u) d −Y −uX
eZ(u) e = euX eY e e = −X. (85)
du du
Thus,
dZ
X = h (1, Z(u)c)
. (86)
du
From our second “fact” above, we may deduce that:
We notice that:
h(1, ln X)5(X) = 1. (89)
Thus,
h (1, Z(u)c) = h 1, ln euXc eYc = 5−1 euXc eYc , (90)
and
dZ(u)
= 5 euXc eYc X. (91)
du
Finally, we integrate to obtain:
1
X Y uXc Yc
e e = exp Y + 5 e e Xdu (92)
0
19
ω, φ, ψ) are not. Let us investigate the selection rules implied by an-
gular momentum and parity conservation (satisfied by electromagnetic
and strong interactions) for the decay of a particle (call it “X”) into
two photons. Thus, we ask the question, what angular momentum J
and parity P states are allowed for two photons?
Set up the problem in the center-of-mass frame of the two photons,
with the z-axis in the direction of one photon. We know that since a
photon is a massless spin-one particle, it has two possible spin states,
which we can describe by its “helicity”, i.e., its spin projection along its
direction of motion, which can take on the values ±1. Thus, a system
of two photons can have the spin states:
(The first arrow refers to the photon in the +z direction, the second
to the photon in the −z direction, and the direction of the arrow in-
dicates the spin component along the z-axis, NOT to the helicity.)
We consider the effect on these states of three operations (which, by
parity and angular momentum conservation, should commute with the
Hamiltonian):
Rx (π)YJJz (Ω)
(Note that the Ylm functions are sufficient, since a fermion ob-
viously can’t decay into two photons and conserve angular mo-
mentum – hence X is a boson, and we needn’t consider 12 -integer
spins.)
20
Make sure that the above statements are intuitively clear to you.
(b) Now fill in a table of eigenvalues for a state (i.e., our particle
“X”) of arbitrary integer spin J and parity P (or, if states are not
eigenvectors, what the transformations yield):
Spin J Transformation
P
Rz (α) Rx (π)
+1
0
−1
+1
1
−1
+1
2, 4, 6, ...
−1
+1
3, 5, 7, ... −1
Note that there may be more than one eigenvalue of Rz (α) for a
given row, corresponding to the different possible values of Jz .
Solution: For the rotation by π about the x axis, we know that:
2j + 1 ∗j 2j + 1 imφ j
Yjm(θ, φ) = Dm0 (φ, θ, 0) = e dm0 (θ). (94)
4π 4π
21
Hence:
Spin J Transformation
P
Rz (α) Rx (π)
+1
0 1 1
−1
+1
1 eimα , m = −1, 0, 1 Yjm → (−)m+1 Yj,−m
−1
+1
2, 4, 6, ... eimα , m = −j, . . . , j Yjm → (−)m Yj,−m
−1
+1
3, 5, 7, ... −1
eimα , m = −j, . . . , j Yjm → (−)m+1 Yj,−m
(c) Finally, by using your answers to parts (a) and (b), determine the
allowed and forbidden J P states decaying into two photons, and
the appropriate photonic helicity states for the allowed transitions.
Put your answer in the form of a table:
Parity Spin
0 1 2,4,... 3,5,...
+1
−1 |↑↓ − ↓↑
22
two photon states are both even. Thus, a spin 1 particle cannot
decay to two photons and preserve rotational invariance.
For spin 2, 4, 6, . . ., we must have m = 0, ±2 in order to match
the possible photon states (property under Rz (α). By considering
Rx (π) we see that we thus take m → −m with no sign change.
All of the photon states are consistent with this. It only remains
to match the parities of the initial and final states; the result is in
the table below.
For spin 3, 5, 7, . . ., we again must have m = 0, ±2 in order to
match the possible photon states (property under Rz (α). Now,
however, Rx (π) takes m → −m with a sign change. This excludes
the two Jz = 0 two photon states. We are unable to construct a
negative parity two-photon state with Jz = ±2. We may construct
a positive parity state with the desired sign change under Rx (π),
as shown in the table.
Parity Spin
0 1 2,4,... 3,5,...
+1 |↑↓ + ↓↑ forbidden | ↑↑, | ↓↓, | ↑↑−| ↓↓
| ↑↓ + ↓↑
−1 |↑↓ − ↓↑ forbidden | ↑↓ − ↓↑ forbidden
23
(a) Suppose you are given a representation, with characters:
24
Thus, the irreducible representations which appear are j = 0, with
multiplicity m0 = 1, j = 1, with multiplicity m1 = 2, and j = 3/2,
with multiplicity m 3 = 1.
2
(b) Does the representation we are given look like it could correspond
to rotations of a physically realizable system? Discuss.
Solution: This representation is a direct sum of irreducible rep-
resentations with j = 0, 1, 32 . Thus, the state space contains states
which are fermionic and states which are bosonic. We know of no
way we can build a system which can have both integer angular
momenta and half-integer angular momenta.
25
For additional reference, you might find it of interest to look up:
F. Ajzenberg-Selove, “Energy Levels of Light Nuclei, A = 5-10,” Nucl.
Phys. A490 1-225 (1988)
(see also http://www.tunl.duke.edu/nucldata/fas/88AJ01.shtml).
Solution: The isobar diagram for A = 6 is shown in Fig. 1. Note
that 6 He, 6 Li, and 6 Be all have a total of 6 nucleons, and differ in
how many of those are protons or neutrons. Thus, to test for charge
independence, we may compare energy levels for states with the same
quntum numbers. Thus, for example, the 6 He ground state is J P = 0+ ;
we should compare it with the lowest J P = 0+ states of 6 Li and 6 Be.
Charge independence says that these levels should be degenerate in
energy. Likewise, we should be able to compare the lowest J P = 2+
energy levels (actually, the lowest 2+ level for 6 Li is identified as an
isospin singlet, so we take the first excited 2+ state in this case – note
that isospin singlets are allowed for lithium, with equal numbers of
neutrons and protons, but not for helium and beryllium, which must
have T ≥ 1). There is evidently some question about the assignment
of the J P = 2+ level for 6 He, but let’s assume it is correct for now.
Even without understanding what the energies really mean, we may
make a first test of charge independence by asking whether the energy
gaps between the levels are independent. We summarize the situation
in Table 1:
26
Figure 1: Nuclear isobar levels for A = 6. From
http://www.tunl.duke.edu/nucldata/fas/88AJ01.shtml [F. Ajzenberg-
Selove, “Energy Levels of Light Nuclei, A = 5-10,” Nucl. Phys. A490 1-225
(1988)].
27
Error bars are not explicitly given, and some further research may be
necessary to elucidate exactly how reliable these numbers are. For our
purposes, we’ll assume that the values are reliable up to ±5 in the
least significant quoted digit. Thus, the 2+ − 0+ energy differences for
6
He and 6 Li appear to be in excellent agreement, but the 6 Li − 6 Be
difference is something like 0.14±0.07 MeV. While small compared with
the overall level spacings, this difference may be real, and is worthy of
further investigation.
More generally, we note that the helium and beryllium isobars are
related by a simple n ↔ p reflection in isospin space, so we should
expect the numbers of states to be the same, and the spacings to be the
same, up to neutron-proton mass difference effects and electromagnetic
effects. As already noticed, lithium may exist in isospin zero states,
and hence more levels may be expected for lithium. These features are
qualitatively borne out by the figure, though the detailed spacings are
not the same. It is worth remarking that the Pauli exclusion principle
is present, though hidden, in our comment on counting states.
To proceed further, we need to understand what the energy scales really
mean. The reference states that the energies in the square brackets are
computed according to:
We may compare the [4.05] relative energy for 6 He with the mea-
surement of its beta decay. A little further reading in the references
above tells us that the Q value (kinetic energy released) in the decay
6
He(β − )6 Li is 3.507 MeV. To an excellent approximation, this corre-
sponds to a nuclear mass difference of
This is pretty close to the estimate of [4.05] MeV in the figure. Hence,
we seem to have a consistent understanding: The 6 He nucleus, in its
ground state, is 4.02 MeV more massive than the 6 Li ground state
28
nucleus, up to uncertainties in the last digit. Thus, for example, the
difference in mass between the 6 He ground state nucleus and its 6 Li
isospin partner is 4.02 − 3.56 = 0.46 MeV. Considering the neutron-
proton mass difference (1.29 MeV), and the difference in estimated
Coulomb energy (-1.32 MeV), this difference may be compared with a
difference of -0.03 MeV expected from charge independence. This is a
significant disagreement. However, the Coulomb correction is large on
the scale of the difference, and may not be trustworthy at this level.
djm1 m2 (θ) = Dm
j
1 m2
(0, θ, 0) =
j, m1 |e−iθJ2 |j, m2
j
where the matrix elements Dm 1 m2
(ψ, θ, φ), parameterized by Euler an-
gles ψ, θ, φ, are given in the “standard representation” by:
j
Dm 1 m2
(ψ, θ, φ) =
j, m1 |D j (u)|j, m2 = e−i(m1 ψ+m2 φ) djm1 m2 (θ)
Prove the following handy formulas for the djm1 m2 (θ) functions:
a) dj∗ j
m1 m2 (θ) = dm1 m2 (θ) (reality of dj functions)
Solution: Let us determine SU(2) matrix u for Euler angles (0, θ, 0),
so that we may use Eqn. 116. This must describe a rotation about the
two-axis by angle θ. Hence,
i
u = exp − θσ2 (118)
2
θ θ
= I cos − iσ2 sin (119)
2 2
θ θ
cos 2 − sin 2
= . (120)
sin 2θ cos 2θ
29
This is a real matrix, and substitution into Eqn. 116 preserves that
reality.
Solution:
djm1 m2 (−θ) = dj∗
m1 m2 (−θ) (121)
j∗
= Dm 1 m2
(0, −θ, 0) (122)
j
= Dm2 m1 (0, θ, 0) (123)
= djm2 m1 (θ). (124)
30
But (−)2j+2m2 +m1 −m2 = (−)m1 −m2 , since either 2j and 2m2 are both
odd or both even, hence their sum is always even.
Solution:
j−m2 j+m2
∂xj−m1 ∂yj+m1 x cos θ2 + y sin θ2 −x sin θ2 + y cos θ2
dj−m1 ,−m2 (θ) =
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
(127)
Now interchange x and y, and replace the resulting x by −x:
j−m2 j+m2
∂xj+m1 ∂yj−m1 y cos 2θ − x sin θ2 −y sin θ2 − x cos θ2
dj−m1 ,−m2 (θ) = (−)j+m1
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
j−m2 j+m2
∂xj+m1 ∂yj−m1 y cos θ2 − x sin θ2 y sin 2θ + x cos θ2
= (−)j+m1 −j−m2
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
= (−)m1 −m2 djm1 m2 (θ) (128)
31
f) djm1 m2 (2π + θ) = (−)2j djm1 m2 (θ)
θ
Solution: We use cos π + 2
= − cos θ2 and sin π + θ
2
= − sin 2θ :
j+m2 j−m2
∂xj+m1 ∂yj−m1 −x cos θ2 − y sin θ2 x sin θ2 − y cos θ2
djm1 m2 (2π + θ) =
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
j+m2 j−m2
∂xj+m1 ∂yj−m1 x cos 2θ + y sin θ2 −x sin θ2 + y cos θ2
= (−)j+m2 +j−m2
(j + m1 )!(j − m1 )!(j + m2 )!(j − m2 )!
= (−)2j djm1 m2 (θ). (132)
14. We would like to consider the (qualitative) effects on the energy levels
of an atom which is moved from freedom to an external potential (a
crystal, say) with cubic symmetry. Let us consider a one-electron atom
and ignore spin for simplicity. Recall that the wave function for the
case of the free atom looks something like Rnl (r)Ylm(θ, φ), and that
all states with the same n and l quantum numbers have the same
energy, i .e., are (2l + 1)-fold degenerate. The Hamiltonian for a free
atom must have the symmetry of the full rotation group, as there are
no special directions. Thus, we recall some properties of this group
for the present discussion. First, we remark that the set of functions
{Ylm : m = −l, −l + 1, · · · , l − 1, l} for a given l forms the basis for a
(2l + l)-dimensional subspace which is invariant under the operations
of the full rotation group. [A set {ψi } of vectors is said to span an
invariant subspace Vs under a given set of operations {Pj } if Pj ψi ∈ Vs
∀i, j.] Furthermore, this subspace is “irreducible,” that is, it cannot be
split into smaller subspaces which are also invariant under the rotation
group.
Let us denote the linear transformation operator corresponding to ele-
ment R of the rotation group by the symbol P̂R , i.e.:
The way to think about this equation is to regard the left side as giving
a “rotated function,” which we evaluate at point Cx. The right side tells
32
us that this is the same as the original function evaluated at the point
R−1Cx, where R−1 is the inverse of the rotation matrix corresponding to
rotation R. Since {Ylm } forms an invariant subspace, we must have:
l
P̂R Ylm = Ylm D l (R)m m
m =−1
(a) Show that all proper rotations through the same angle ϕ, about
any axis, belong to the same class of the rotation group.
Solution: Consider two rotations by angle θ about axes e and
e : Re (θ) and Re (θ). Let R be the rotation which takes axis e
into e . Such a rotation must exist, according to the theorem you
proved in exercise one. That is:
Then,
Re (θ) = RRe (θ)R−1 , (134)
since this sequence has the effect of first rotating the e axis (think-
ing of it as embedded in the object to be rotated) to be along e ,
then rotating about this axis, and finally putting the e axis back
to its original orientation.
33
(b) We will need the character table of this group. Since all elements
in the same class have the same character, we pick a convenient
element in each class by considering rotations about the z-axis,
R = (α, z) (means rotate by angle α about the z-axis). Thus:
(c) At last we are ready to put our atom into a potential with cubic
symmetry. Now the symmetry of the free Hamiltonian is broken,
and we are left with the discrete symmetry of the cube. The
symmetry group of proper rotations of the cube is a group of
order 24 with 5 classes. Call this group “O”.
Construct the character table for O.
34
Solution: Let the cube be centered at the origin and oriented
with its faces centered on the x, y, z axes. The classes of O are:
Class pk Elements
C1 1 Identity
C2 6 Rotations by ± π2 about x, y, z
C3 3 Rotations by π about x, y, z
C4 6 Rotations by π about lines joining centers of opposite edges
C5 8 Rotations by ± 2π 3
about the four diagonals
In constructing the character table, we note:
• The number of irreducible representations is equal to the num-
ber of classes, nr = nc = 5.
• We have the following orthogonality relations among rows and
among columns:
nc
pk χj (Ck )∗ χj (Ck ) = hδj j , (142)
k=1
nc
h
χi (Cj )∗ χi (C& ) = δj& . (143)
i=1 pj
35
• The same type of considerations are sufficient to uniquely fill
in the remaining table. In this case, it is not actually necessary
to write any explicit rotation matrices, though that can be
done.
The character table is therefore:
1 C1 1 1 2 3 3
6 C2 1 -1 0 1 -1
3 C3 1 1 2 -1 -1
6 C4 1 -1 0 -1 1
8 C5 1 1 -1 0 0
D 3 = a1 O 1 ⊕ a2 O 2 ⊕ a3 O 3 ⊕ a4 O 4 ⊕ a5 O 5,
sin(3 + 12 )α
χ(α) = , (145)
sin α2
we have:
χ(C1 ) = 7 (146)
36
sin 7π
4
χ(C2 ) = π = −1 (147)
sin 4
sin 7π
2
χ(C3 ) = = −1 (148)
sin π2
sin 7π
2
χ(C4 ) = = −1 (149)
sin π2
sin 14π
6
χ(C5 ) = 2π = 1. (150)
sin 6
D3 = a1 O 1 ⊕ a2 O 2 ⊕ a3 O 3 ⊕ a4 O 4 ⊕ a5 O 5,
or,
5
χ= ai χi . (151)
i=1
D 3 = 0O 1 ⊕ 1O 2 ⊕ 0O 3 ⊕ 1O 4 ⊕ 1O 5 . (153)
37
lowest-order term in its expansion, i.e., by 1. Thus, we need only
consider the interaction of the dipole moment with the electric field of
the light beam, taken to be uniform. The electric dipole moment of
the atom is proportional to exx, where x is the position of the electron
relative to the nucleus. Hence, in the “dipole approximation”, we are
interested in matrix elements of x ·E
E, where E is the electric field vector
of the light beam.
Calculate the following ratios of transition rates in the dipole approxi-
mation:
Γ(|23, 1, 1 → |1, 0, 0)
a)
Γ(|23, 1, 0 → |1, 0, 0)
Γ(|3, 1, 0 → |4, 2, 1)
b).
Γ(|3, 1, −1 → |4, 2, 0)
39
16. It is possible to arrive at the Clebsch-Gordan coefficients for a given
situation by “elementary” means, i.e., by considering the action of the
raising and lowering operators and demanding orthonormality. Hence,
construct a table of Clebsch-Gordan coefficients, using this approach,
for a system combining j1 = 2 and j2 = 1 angular momenta. I find it
convenient to use the simple notation |jm for total quantum numbers
and |j1 m1 |j2 m2 for the individual angular momentum states being
added, but you may use whatever notation you find convenient.] You
will find (I hope) that you have the freedom to pick certain signs. You
are asked to be consistent with the usual conventions where
D2 ⊗ D1 = D3 ⊕ D2 ⊕ D1. (171)
We start with
33| (|22|11) = 1. (172)
The lowering operator on |33 gives
√
J− |33 = 6|32. (173)
Also, √
J− (|22|11) = 2 (|21|11) + 2 (|22|10) (174)
Thus,
2 1
|32 = (|21|11) + √ (|22|10) . (175)
3 3
40
The |22 state is also a linear combination of (|21|11) and (|22|10),
which we obtain by requiring orthogonality with |32 and using the
convention specified in the problem statement:
1 2
|22 = − √ (|21|11) + (|22|10) . (176)
3 3
41
C(21j; m1 m2 m)
j 3 3 2 3 2 1 3 2 1 3 2 1 3 2 3
m1 m2 m 3 2 2 1 1 1 0 0 0 -1 -1 -1 -2 -2 -3
2 1 1
2
2 0 √1
3
2
3
−1
1 1 3
√
3 1 3
2 -1 √1
15
8
3
1
35
1 0 −
152 −1
6 10
0 1 √ √1
5 2 10
3
1 -1 √1 √1
5
3
2 10
0 0 0 − 25
5
−1
3
-1 1 √1 √
10
5 2
2
0 -1 √1 √1
85 −1
2 10
3
-1 0 √ − 10
15
−1
6 3
-2 1 √1 √
5
15 3
2
-1 -1 √1
3
32
-2 0 √1 −
3 3
-2 -1 1
42
where
(x1 y2 − x2 y1 )2k3 (x2 y3 − x3 y2 )2k1 (x3 y1 − x1 y3 )2k2
G({k}; {x}, {y}) ≡ ,
(2k3 )!(2k1 )!(2k2 )!(j1 + j2 + j3 + 1)!
(182)
where 2k1 , 2k2 , 2k3 are non-negative integers given by:
2k3 = j1 + j2 − j3 ; 2k1 = j2 + j3 − j1 ; 2k2 = j3 + j1 − j2 , (183)
and
xj+m y j−m
Pjm (x, y) ≡ ; P00 ≡ 1. (184)
(j + m)!(j − m)!
We also define Pjm ≡ 0 if m ∈
/ {−j, . . . , j}.
The k indices in the present case are:
2k3 = 1 (185)
2k1 = 2j − 1 (186)
2k2 = 1, (187)
and thus,
(x1 y2 − x2 y1 )(x2 y3 − x3 y2 )2j−1 (x3 y1 − x1 y3 )
G({k}; {x}, {y}) = .
(2j − 1)!(2 + 2j)!
(188)
Finally,
1 j j
= P10 (∂x1 , ∂y1 )Pjm (∂x2 , ∂y2 )Pj−m(∂x3 , ∂y3 )G({k}; {x}, {y})
0 m −m
∂xj+m ∂yj−m ∂xj−m ∂yj+m
= ∂x1 ∂y1 2 2
3 3
43
2j−1
(2j − 1)!
(x2 y3 + x3 y2 ) (x2 y3 )k (−x3 y2 )2j−1−k
k=0 k!(2j − 1 − k)!
!
∂xj+m
2
∂yj−m
2
∂xj−m
3
∂yj+m
3
! (2j
" − 1)!
=
(j + m)!(j − m)! (2 + 2j)!
2j−1
(x2 y3 )k+1 (−x3 y2 )2j−1−k − (x2 y3 )k (−x3 y2 )2j−k
k=0 k!(2j − 1 − k)!
!
[(j + m)!(j − m)!)]2 !
" (2j − 1)!
=
(j + m)!(j − m)! (2 + 2j)!
j−m 1 1
(−) −
(j + m − 1)!(j − m)! (j + m)!(j − m − 1)!
2m
= (−)j−m . (189)
(2j + 2)(2j + 1)2j
44
angular distribution must be:
3
dΓ/dΩ(θ, φ) = Γ|Y1 1(θ, φ)|2 = Γ sin2 θ. (192)
8π
Notice that this is zero at θ = 0 – if the pions are emitted along the
z-axis, the orbital angular momentum cannot be along z, so emission
at this angle would violate angular momentum conservation.
Let us also solve this problem using the formula we developed in class:
dΓ/dΩ(θ, φ) ∝ |Aλ1 λ2 |2 |djmδ (θ)|2 , (193)
λ1 ,λ2
19. Here is another example of how we can use the rotation matrices to
compute the angular distribution in a decay process. Let’s try another
similar example. Consider a spin one particle, polarized with its angular
momentum along the ±z-axis, with equal probabilities. Suppose it
decays to two spin-1/2 particles, e.g., an electron and a positron.
(a) Such the decay occurs with no orbital angular momentum. What
is the angular distribution of the decay products, in the frame of
the decaying particle?
Solution: Actually, we are given the answer: If there is no orbital
angular momentum, the spatial portion of the wave function is
uniform in angle. Thus,
1 dΓ 1
= . (195)
Γ dΩ 4π
But suppose we didn’t notice this, or just want to check that
our formalism gives the right answer. We must average over the
45
two initial polarizations m = ±1, and sum over all possible final
helicities (deciding to work in the helicity formalism here). Thus,
1 1
1 dΓ 1 2 2
(m) 2 1
(θ, φ) = |A | |dmδ (θ)|2 . (196)
Γ dΩ 2 m=−1,1 λ =− 1 λ =− 1 λ1 λ2
1 2 2 2
1
= (|A++ |2 + |A−− |2 ) |d110 (θ)|2 + |d110 (π − θ)|2
2
+|A+− |2 |d111 (θ)|2 + |d111 (π − θ)|2
+|A−+ |2 |d11−1 (θ)|2 + |d11−1 (π − θ)|2 . (198)
Now,
1
d111 (θ) = d11−1 (π − θ) = (1 + cos θ), (199)
2
1 1 1
d10 (θ) = = d10 (π − θ) = − √ sin θ, (200)
2
1
d11−1 (θ) = d111 (π − θ) = (1 − cos θ). (201)
2
(202)
Thus,
1 dΓ 1
(θ, φ) = (|A++ |2 + |A−− |2 ) sin2 θ (203)
Γ dΩ 2
1
+ (|A+− |2 + |A−+ |2 ) (1 + cos θ)2 + (1 − cos θ)2 ,
2
1
= (|A++ |2 + |A−− |2 ) sin2 θ + (|A+− |2 + |A−+ |2 ) 1 + cos2 θ .
2
In order to be consistent with our assumption of L = 0, the helicity
amplitudes must be constrained such that
|A++ |2 + |A−− |2 = |A+− |2 + |A−+ |2 . (204)
46
(b) If this is an electromagnetic decay to e+ e− , and the mass of the
decaying particle is much larger than the electron mass, the sit-
uation is altered, according to relativistic QED. In this case, the
final state spins will be oriented in such a way as to give either
m = 1 or m = −1 along the decay axis, where m is the total
projected angular momentum. What is the angular distribution
of the decay products in this case?
Solution: We should no longer assume L = 0 for this part. We
may proceed as in part (a), except omitting the m = 0 component
along the decay axis:
1 dΓ 1
(θ, φ) = (|A+− |2 + |A−+ |2 ) (1 + cos θ)2 + (1 − cos θ)2 ,
Γ dΩ 2
3
= (1 + cos2 θ). (205)
16π
Let us derive this result a bit more intuitively, without using the
general formula. Our initial state is either |j = 1, m = 1 or |1−1,
in the basis where m is the angular momentum along the z axis.
The description of the final state is similar, except that now the
quantization axis (call it z ) is at an angle θ with respect to the z
axis. That is, the final state is either |j = 1, m = 1 or |1 − 1 ,
where the prime on the ket is intended to indicate the basis in
which the z axis is the quantization axis. We want to determine:
1 dΓ (1) (−1)
(θ, φ) = |A+−
11||11|2 + |A+−
11| |1 − 1|2 (206)
Γ dΩ
(1) (−1)
+|A−+
1 − 1| |11|2 + |A−+
1 − 1| |1 − 1|2
Again, we can use the fact that the amplitude for the initial m =
−1 decay is related to the amplitude for the m = +1 decay by
reversing the z axis:
1 dΓ (1) (1) (1) (1)
(θ, φ) = |A+− d111 (θ)|2 + |A+− d111 (π − θ)|2 + |A−+ d11−1 (θ)|2 + |A−+ d11−1 (π − θ)|2
Γ dΩ
= |A+− d111 (θ)|2 + |A+− d11−1 (θ)|2 + |A−+ d11−1 (θ)|2 + |A−+ d111 (θ)|2
= (|A+− |2 + |A−+ |2 ) d111 (θ)2 + d11−1 (θ)2 (209)
3
= (1 + cos2 θ). (210)
16π
48
Physics 125c
Course Notes
Approximate Methods
040415 F. Porter
Contents
1 Introduction 2
2 Variational Method 2
2.1 Bound on Ground State Energy . . . . . . . . . . . . . . . . . 2
2.2 Example: Helium Atom . . . . . . . . . . . . . . . . . . . . . 3
2.3 Other Applications of Variational Method . . . . . . . . . . . 6
2.4 Variational Theorem . . . . . . . . . . . . . . . . . . . . . . . 7
2.5 The “Ritz Variational Method” . . . . . . . . . . . . . . . . . 8
1 Introduction
Typically, problems in quantum mechanics are difficult to solve exactly with
analytic methods. We thus resort to approximate methods, or to numerical
methods. In this note, I review several approximate approaches.
2 Variational Method
There are many applications of the technique of varying quantities to find a
useful extremum. This is the gist of the “variational method”. As a means
of finding approximate solutions to the Schrödinger equation, a common
approach is to guess an approximate form for a solution, parameterized in
some way. The parameters are varied until an extremum is found. We
illustrate this approach with examples.
2
2.2 Example: Helium Atom
The Coulombic Hamiltonian for the helium atom is:
p21 p2 2α 2α α
H = + 2 − − + (3)
2m 2m |x1 | |x2 | |x1 − x2 |
1 2α 2α α
= − (∇21 + ∇22 ) − − + , (4)
2m |x1 | |x2 | |x1 − x2 |
where α = e2 , m is the mass of the electron, and we are neglecting the motion
of the nucleus. Let
r1 = |x1 |, (5)
r2 = |x2 |, (6)
r12 = |x1 − x2 |. (7)
Toward guessing a “good” trial wave function, note that, if the interaction
term α/r12 were not present, the ground state wave function would be simply
a product of two hydrogenic ground state wave functions in x1 and x2 :
Z 3 − aZ (r1 +r2 ) 1
ψ(x1 , x2 ) = 3 e 0 , a0 = . (8)
πa0 mα
There is no reason to expect that the α/r12 term to be especially “small”
compared with the other terms, so the perturbation theory approach (dis-
cussed later) may not work especially well here. However, let us use the
above wave function here in the variational method, and let Z be a variable
parameter, to get an upper bound on the helium ground state energy.
We need to evaluate the expectation value of H. The kinetic energy of
one electron is:
Z
p21 Z 3 −Zr1 /a0 p21 −Zr1 /a0
hψ| |ψi = d3 (x1 ) e e
2m (∞) πa30 2m
Z
Z3
d3 (x2 ) 3 e−2Zr2 /a0 (9)
(∞) πa0
= Z 2 × kinetic energy of hydrogen atom ground state (10)
1
= Z 2 mα2 . (11)
2
Thus,
p21 p2
hψ| + 2 |ψi = Z 2 mα2 . (12)
2m 2m
3
Similarly,
2α
hψ| − |ψi = 2Z × potential energy of hydrogen atom ground state
r1
= −2Zmα2 . (13)
A remark is in order: The “2” on the left hand side is for the Coulomb
potential felt by electron number one in the Z = 2 field of the helium nucleus.
Note that this “2” is from the Hamiltonian for helium - it is not a variational
parameter. The factor of Z that appears on the right side is a variational
parameter, since it arises from the trial wave function (h1/r1 i = Z/a0 ). Thus,
we so far have:
!
1 2 1 1 1
hψ| (p1 + p22 ) − 2α + |ψi = mα2 (2Z 2 − 8Z). (14)
2m |x1 | |x2 | 2
It remains to evaluate the “interaction energy” between the two electrons,
for our trial wave function:
Z Z !2 − 2Z (r1 +r2 )
α 3 Z33 ea0
hψ| |ψi = α d (x1 )d (x2 ) . (15)
r12 (∞) (∞) πa30 |x1 − x2 |
Let us digress for a moment here to obtain a couple of handy integrals.
4
Proof: (sketch)
1. Let z = y−x, and let |z| = r. Then we may make the replacement
Thus,
Z ∞ √
Z 1
0 −ur exp(−v r2 + ∆2 + 2r∆ cos θ)
I(u, v; x, x ) = 2π re dr d cos θ √ .
0 −1 r2 + ∆2 + 2r∆ cos θ
(20)
Integrating over cos θ yields
Z ∞ h i
2π
I(u, v; x, x0 ) = dre−ur e−v|r−∆| − e−v(r+∆) . (21)
v∆ 0
Experimentally, the ground state energy of helium, from the first and second
ionization energies, is
We have come within about 2.5% of the right value by our variational
method with the “hydrogen” trial function. More careful variational cal-
culations give good agreement. Note that the best value was obtained for
Z = 27/16 instead of Z = 2. This is suggestive of the “screening” of the nu-
cleus from each electron by the other electron, reducing the effective charge
5
by 16 e.
6
Thus,
hψ|H|ψi − E0
1 − |c0 |2 = 1 − |hψ|ψ0 i|2 ≤ , (34)
E1 − E0
giving us a bound on how close our trial wave function is to the true ground
state wave function. Of course, this is useful only if we have sufficient knowl-
edge of the spectrum.
Likewise, we can obtain a lower bound on E0 :
E0 ≤ hψ|Hψi ≤ E1 , (35)
then
hHψ|Hψi − hψ|H|ψi2
E0 ≥ hψ|H|ψi − . (36)
E1 − hψ|H|ψi
The proof of this will be left to the reader. To use this theorem, a lower
bound on E1 − hψ|H|ψi may be inserted.
Theorem: Let ψ ∈ H (such that 0 < hψ|ψi < ∞), and define the following
functional on H:
hψ|H|ψi
E(ψ) ≡ , (37)
hψ|ψi
where H is the Hamiltonian operator, with a discrete spectrum. Then,
any vector ψ for which the variation of E is stationary [that is, δE(ψ) =
0] is an eigenvector in the discrete spectrum of H, and the correspond-
ing eigenvalue of H is E(ψ).
Proof: Write:
E(ψ)hψ|ψi = hψ|H|ψi. (38)
Take the variation of both sides:
7
Thus,
hψ|ψiδE = hδψ|H − E|ψi + hψ|H − E|δψi. (40)
If (H − E)|ψi = 0, then δE = 0, that is, if ψ is an eigenstate of H with
eigenvalue E(ψ), then E is stationary. Suppose, instead, that δE = 0.
In this case,
hδψ|H − E|ψi + hψ|H − E|δψi = 0. (41)
Note that ψ is complex, and the variation of the real and imaginary
parts are independent (the normalization is not constrained). We may
deal with this by considering the variation of iψ. If δE = 0, we have:
Hence,
−ihδ(ψ)|H − E|ψi + ihψ|H − E|δ(ψ)i = 0. (43)
Combining with Eq. 41, we obtain:
{|ni : n = 0, 1, 2, . . . , N }. (47)
8
The an are N + 1 complex parameters to be varied. Let us impose the
normalization canstraint
N
X
|an |2 = 1, (49)
n=0
so that hψ|ψi = 1.
We wish to find the parameters such that the variation of the expectation
of H vanishes:
δ(hψ|H|ψi) = 0, (50)
subject to the constraint 49. Thus,
N
X
0 = δ hψ|mihm|H|nihn|ψi (51)
n=0
m=0
N
X
= δ a∗m an hm|H|ni , (52)
n=0
m=0
subject to
N
! N
X X
0 = δ(1) = δ |an |2 = δ
a∗m an δmn
. (53)
n=0 n=0
m=0
where the last equation was obtain via a relabeling of the m, n indices. As
in the previous section, we note that the real and imaginary parts may be
varied separately, and hence:
X
δa∗m an (hm|H|ni − λδmn ) = 0, (57)
m,n
X
δam a∗n (hm|H|ni∗ − λδmn ) = 0. (58)
m,n
9
We may also vary each of the individual an ’s separately, setting all δan = 0
except for one. This gives:
X
an (hm|H|ni − λδmn ) = 0. (59)
n
10
~ ( 5 - 14 ) π
~ 4π π 2π 3π 4π
V(x)
E4
x
x1 x2
11
Adding up all such contributions between the turning points yields:
Z x2 Z x2 q
dφ
∆φ = dx ≈ 2m(E − V )dx. (68)
x1 dx x1
The approximation is better the more slowly V (x) varies with x, since we have
used an integrand based on the assumption of constant V regions. Therefore,
we have: Z x2 q
1
2m [En − V (x)]dx ≈ (n + )π. (69)
x1 2
To use this result to estimate the energy levels En , we must first solve for
the turning points as a function of E:
yielding the functions x1 (E) and x2 (E). Next, we solve for the function of
E: Z x2 (E) q
f (E) = 2m [En − V (x)]dx. (71)
x1 (E)
Letting
q 1
∆ 2mEn = (n + )π, (75)
2
12
we obtain the result
(n + 12 )2 π 2
En = , n = 0, 1, 2, . . . (76)
2m∆2
Actually, we can do better than this. As we noted earlier, the change in
phase for this potential is really (n + 1)π, since the turning points are nodes.
Thus, we expect
(n + 1)2 π 2
En = , n = 0, 1, 2, . . . (77)
2m∆2
This is, in fact, the exact result, which is to be expected, because the as-
sumption of constant V is valid in this case.
1 2 1 2
E = kx = kx , (79)
2 1 2 s2
2E
−x1 = x2 = x0 ≡ . (80)
k
Now find f (E):
Z x0 q
f (E) = dx 2m [E − V (x)] (81)
−x0
√ Z 1 √
= 2 mkx20 dx 1 − x2 (82)
0
√ Z π/4
2
= 2 mkx0 cos2 θdθ (83)
0
√ x2
= π mk 0 (84)
2
E
= π . (85)
ω0
13
Setting f (En ) = (n + 12 )π, we arrive at the result:
1
En = (n + )ω0 , n = 0, 1, 2, . . . (86)
2
This turns out to be the exact spectrum for the bound states of the simple
harmonic oscillator potential.
where f and θ are real, and > 0. If is very small, the phase oscillation
is very rapid, and we may anticipate little contribution to the integral from
such a region. The dominant contribution may be expected to arise where
the phase variation is slow, that is, where dθ/dx = 0. This is the idea behind
the method of stationary phase. Figure 2 illustrates the idea.
Let us pursue this notion. Suppose θ(x) has a (single) stationary point
at x = x0 : θ0 (x0√
) = 0. We do a Taylor series expansion about this point,
letting x = x0 + u:
Z ∞ h √ i
I() = uf 0 (x0 ) + 12 u2 f 00 (x0 ) + O(3/2 )
f (x0 ) +
−∞
n h √ io √
exp i θ(x0 )/ + 12 u2 θ00 (x0 ) + 3!1 u3 θ000 (x0 ) + O() du (88)
Z ∞ " #
√ iθ(x0 )/
√ f 0 (x0 ) 1 2 f 00 (x0 )
= f (x0 )e 1+ u + 2 u + O(3/2 )
−∞ f (x0 ) f (x0 )
i 2 θ 00 (x )
h √ i
e2u 0
exp i
3!
u3 θ000 (x0 ) + O() du (89)
Z ∞ ( " #)
√ √ f 0 (x0 )
= f (x0 )eiθ(x0 )/ 1+ u + 3!1 u3 θ000 (x0 ) + O()
−∞ f (x0 )
i 2 00
e 2 u θ (x0 ) du. (90)
The terms odd in u vanish on integration, leaving:
√ Z ∞ i 2 θ 00 (x )
I() = f (x0 )e iθ(x0 )/
e2u 0
du
−∞
14
1.2
0.8
0.4
0
-1 -0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1
-0.4
-0.8
-1.2
Figure 2: Illustration for the method of stationary phase. The smooth con-
cave down curve is f (x). The smooth concave up curve is θ(x). The oscil-
lating curve of constant amplitude is the real part of eiθ(x)/ . The remaining
oscillatory curve is the real part of the
h desired integrand:
i f (x)eiθ(x)/ . In this
1 2
illustration, = 0.01, f (x) = 0.8 exp − 2 (x − 0.2) , and θ(x) = x2 .
s
√ iθ(x0 )/ i π4 sign θ 00 (x0 ) 2π
= f (x0 )e e [1 + O()] . (91)
|θ00 (x 0 )|
For multiple stationary points, we simply sum over this expression evaluated
at each stationary point.
15
is a potential difficulty with the fact that these points are at the limits of the
integration. However, we may use the fact that the integrand is symmetric
about φ = 0, and periodic, to write:
Z 3π/2
1
Jn (z) = eiz cos φ cos(nφ)dφ. (93)
2in π −π/2
16
What is the asymptotic behavior of the wave function as t → ∞? Suppose
in particular, we are interested in a wave function which in momentum space
is localized around a momentum q at time t = 0. The position space wave
function at t = 0 is:
1 Z
ψ(x, 0) = dpψ̂(p)eipx . (102)
2π
Taking ψ̂ to be real, we find that |ψ(x, 0)| is symmetric about 0. If we further
suppose that ψ̂ > 0, then |ψ| is maximal at x = 0 (alternatively, we could
choose our coordinate system such that this is the case1 ).
The time evolution of the wave function is:
Z
1 2 /2m
ψ(x, t) = dpψ̂(p)eipx−itp . (103)
2π
The phase of interest here is
m x2
θ(p0 ) = , (106)
2 t2
θ00 (p0 ) = −1/m, (107)
1
f (p0 ) = ψ̂(mx/t). (108)
2π
Thus,
1 2
q
ψ(x, t) → √ ψ̂(mx/t)eimx /2t e−iπ/4 m/2π, as t → ∞, (109)
t
r
m −iπ/4 imx2 /2t
= ψ̂(mx/t) e e . (110)
2πt
1
You may wish to recall that a translation by x0 in position corresponds to multiplica-
tion by a phase e−ipx0 in momentum space
17
The probability desnity, at large times, is thus:
m
|ψ(x, t)|2 = |ψ̂(mx/t)|2 . (111)
2πt
Note that this is peaked around x = qt/m, if ψ̂(p) is peaked around q, giving
the appropriate classical correspondence for the motion. The probability
density falls as 1/t, but also spreads out as 1/t (due to the 1/t in the argument
of ψ̂). Probability is conserved:
Z Z Z
m 1
|ψ(x, t)|2 dx =t→∞ |ψ̂(mx/t)|2 dx = |ψ̂(p)|2 dp = constant.
2πt 2π
(112)
For a given (positive) momentum component, and x > |L|, E = p2 /2m, and
the wave function corresponding to this momentum is:
(
eipx + R(E)e−ipx , x < −L,
ψE (x) = (114)
T (E)eipx , x > L.
19
first approximation can be found. This is the method of stationary state
perturbation theory, which we develop with a simplified approach here.
Suppose we are given a Hamiltonian of the form H = H0 + V , where we
know the eigenfunctions and eigenvalues corresponding to H0 :
Note, however, that such an expansion does not always make sense. For
example, we cannot do perturbation theory on the free particle problem to
solve a bound state problem, no matter how “weak” the potential.
We need to develop an algorithm to solve for the terms in the series.
Assume our unperturbed system of eigenstates is orthonormal:
hn|N i = 1. (128)
20
The coefficient of each power of λ must vanish, so that:
hn|Nk i = 0, k = 1, 2, . . . (130)
or
where
En0 ≡ εn (136)
|N0 i ≡ |ni. (137)
Consider the λ1 equation, and take the scalar product with hn|:
21
In general, we find from Eqn. 135:
Enk = hn|V |Nk−1 i. (141)
If we know the (k − 1)th order correction to the wave function, we can
obtain the kth order energy correction. To find the wave function corrections,
expand in the eigenstates of H0 :
X
|Nk i = |mihm|Nk i, k = 1, 2, . . . , (142)
m6=n
where the m = n terms in the sum are excluded since hn|Nk i = 0, ∀k > 0.
Now take the scalar product of Eqn. 135 with hm| to get the expansion
coefficients:
k
X
hm|H0 |Nk i + hm|V |Nk−1 i = Enj hm|Nk−j i (143)
j=0
k−1
X
εm hm|Nk i + hm|V |Nk−1 i = εn hm|Nk i + Enj hm|Nk−j i, (144)
j=1
where the j = k term in the sum may be excluded, since hm|ni = 0. Thus,
if εm 6= εn :
k−1
X
1
hm|Nk i = hm|V |Nk−1 i − Enj hm|Nk−j i . (145)
εn − εm j=1
We’ll try an example – estimating the helium ground state energy. Let
H = H0 + V , with
p21 p2 2α 2α
H0 = + 2 − − (146)
2m 2m r1 r2
α
V = . (147)
r12
The ground state wave function for the unperturbed H0 is just
Z 3 − aZ (r1 +r2 )
|n = 0i = |0i0 = 3 e 0 , with Z = 2. (148)
πa0
The unperturbed ground state energy is:
1
ε0 = − mα2 (2Z 2 ) = −108.9 eV. (149)
2
22
The first order correction to the energy is
Z Z !2
Z3 − 2Z (r1 +r2 ) α
E01 = 0 h0|V |0i0 = d3 (x1 ) d3 (x2 ) e a 0 . (150)
(∞) (∞) πa30 r12
This is an integral we already evaluated, hence
1 5
E01 = mα2 Z = 34.0 eV. (151)
2 4 Z=2
The second order correction depends on the “overlap” between hm| and V |ni
where hm| 6= hn|, and also on the energy level spacing in the unperturbed
Hamiltonian.
23
5.1 Normalization
We chose the normalization hn|N i = 1 in order to make the expansion conve-
nient. The drawback is that |N i is not normalized to unit total probability.
We may √ renormalize to obtain a normalized wave function as follows: Let
|N̂ i = A|Ni such that hN̂|N̂ i = 1. The constant A = 1/hN |N i is called
the “wave function renormalization constant”. Take
√ √
A = Ahn|N i = hn|N̂ i. (159)
We see that |Ni is normalized already to one to first order, with corrections
only appearing at second order.
To second order,
X |hm|V |ni|2
A = 1 − λ2 2
+ O(λ3 )
m6=n (ε n − εm )
∂ X |hm|V |ni|2
= εn + λhn|V |ni + λ2 + O(λ3 )
∂εn m6=n εn − εm
∂En
= + O(λ3 ). (165)
∂εn
This result is actually √valid to all orders in perturbation theory: If a system
is in eigenstate |N̂i = A|Ni of the perturbed Hamiltonian, the probability,
A = |hn|N̂ i|2 , to observe it in the unperturbed state, |ni, is just the partial
derivative, ∂En /∂εn , of the perturbed energy with respect to the unperturbed
energy. The partial derivative here means keeping εm (m 6= n) and hm|V |ni
fixed.
24
6 Degenerate State Perturbation Theory
If εn = εm and hn|V |Mi 6= 0, then the perturbation theory we developed
above breaks down. This is not an essential difficulty, however, and we
address getting around it here.
Suppose that a set of states,
such that
hn0i |V |n0j i = 0, i 6= j (169)
The matrix B = {bij } which does this is just the matrix formed by the
normalized eigenvectors of the V matrix (in this `-dimensional subspace):
V Bj = λj Bj , (170)
where
X̀
|(Bj )i |2 = 1. (171)
i=1
Thus,
X̀
|n0i i = (Bi )j |nj i. (172)
j=1
With this change in basis, we recover our original first order perturbation
theory result for the wave functions:
X |mihm|V |n0i i
|Ni0 i = |n0i i + + ... (173)
m∈{n
/ k}
n − m
25
We also recover our original second order perturbation theory result for the
energies:
X |hm|V |n0i i|2
Eni = εn + hn0i |V |n0i i + + ... (174)
m∈{n
/ k}
n − m
26
If we define
V (t) ≡ eiH0 t Vt e−iH0 t , (183)
we may write
i∂t |ψ(t)i = V (t)|ψ(t)i. (184)
We see that V (t) looks like a Hamiltonian for “state” |ψ(t)i. We call |ψ(t)i
the state vector in the interaction representation, implying that the time
dependence is due only to the interaction. The operator V (t) is the inter-
action representation for operator Vt . We may note that, if Vt = 0, the
interaction representation is just the Heisenberg representation.
Now integrate with respect to time:
Z t
∂t |ψ(t)idt = |ψ(t)i − |ψ(t0 )i, (185)
t0
or, Z
1 t
|ψ(t)i = |ψ(t0 )i +
V (t1 )|ψ(t1 )idt1 . (186)
i t0
This suggests that we try an iterative solution, which we hope converges.
Thus, to first order in V :
Z t
1
|ψ(t)i = |ψ(t0 )i + V (t1 )|ψ(t0 )idt1 . (187)
i t0
To find the second order solution, we substitute the approximation of Eqn. 187
into Eqn. 186:
Z t 2 Z t Z t1
1 1
|ψ(t)i = |ψ(t0 )i+ dt1 V (t1 )|ψ(t0 )i+ dt1 V (t1 ) dt2 V (t2 )|ψ(t0 )i.
i t0 i t0 t0
(188)
In general, we see that the nth order correction in this expansion is:
n Z t Z t1 Z tn−1
1
dt1 dt2 . . . dtn V (t1 )V (t2 ) . . . V (tn )|ψ(t0 )i. (189)
i t0 t0 t0
If we define a kernel as K(t0 , t) = V (t)θ(t0 − t), we see that this series is really
in the form of a Neumann series for the solution of an integral equation.
27
7.1 The Time-Ordered Product
There is another interesting way to express this series result. Let us define the
concept of a time-ordered product, denoted by {AB}t , of two operators
A and B, according to:
A(t1 )B(t2 ), if t1 ≥ t2 ,
{A(t1 )B(t2 )}t = (190)
B(t2 )A(t1 ) if t1 < t2 .
In general, we find:
Z t n Z t Z t Z t
V (t1 )dt1 = dt1 dt2 . . . dtn {V (t1 )V (t2 ) . . . V (tn )}t
t0 t t0 t0 t0
Z t Z t1 Z tn−1
= n! dt1 dt2 . . . dtn V (t1 )V (t2 ) . . . V (tn ). (194)
t0 t0 t0
Thus, Z t n
1
n
V (t1 )dt1 |ψ(t0 )i (195)
i n! t0 t
is the nth order term in our expansion for |ψ(t)i. We might think of this in
terms of the picture in Fig. 3: Imagine that, in propagating from time t0 to
time t, the wave “interacts” with the potential at discrete times t1 , t2 , . . . tn .
To get the total evolution of the wave, we must integrate over all possible
interaction times, and sum over all possible numbers of interactions. When
we sum over all terms in this expansion, we find:
Z t
|ψ(t)i = exp −i V (t1 )dt1 |ψ(t0 )i. (196)
t0 t
28
t
V
t1
V t
n-1
V t
n
t0
Figure 3: Illustration of nth order interaction term in time evolution from t0
to t.
29
Hence, if hf |ii = 0, the transition amplitude is
Z t
1
hf |ψ(t)i = dt1 ei(εf −εi)t1 hf |Vt1 |ii. (201)
i t0
In this case,
Z t 2
Pi→f (t) = dt1 ei(εf −εi )t1
hf |V |ii (204)
t0
" εf −εi #2
sin t
= 2
εf −εi |hf |V |ii|2 . (205)
2
> 2π
∆ε∆t∼ ∆t = 2π. (207)
∆t
30
1
0.8
0.6
0.4
0.2
0
-4 -3 -2 -1 0 1 2 3 4
But as the interaction is turned on more slowly, or has acted for a longer
time, the uncertainty in energy induced by the perturbation decreases, i.e.,
energy is conserved to ∆ε ∼ 2π/t.
If the levels εf and εi are discrete, with εf 6= εi , the transition prob-
ability simply oscillates with period T = 2π/|εf − εi |. If |f i and |ii are
degenerate, then the probability grows as t2 . This cannot continue indefi-
nitely, since probabilities are bounded by one. Eventually, higher orders in
the perturbation become important.
Consider the case where |f i is drawn from a continuum of energy states
(or, perhaps a very closely spaced spectrum). For example, we could be
dealing with a free particle in H0 . In this case it makes more sense to ask for
the transition probability to some set of states in a neighborhood of |ni. For
example, for a free particle, we are interested in the transition probability
to phase space volume element d3 (p) about p. Since the area of the central
bump grows as t, we expect the transition probability to a set of such states
31
with εf ≈ εi to grow linearly with time. Hence, the transition rate to such a
set of states is a constant. Let us calculate the transition rate for this case.
We must sum Eqn. 205 over the region of interest (call this region R):
Z " εf −εi #2
X sin t
Pi→f (t) = dεf ρ(εf ) 2
εf −εi |hf |V |ii|2 , (208)
f ∈R R
2
where ρ(εf ) is the number of states per unit energy, known as the density
of states. Let’s suppose |hf |V |ii|2 doesn’t change much over the region of
interest, and take this quantity outside the integration:
Z " εf −εi #2
X 2 sin t
2
Pi→f (t) ≈ |hf |V |ii| dεf ρ(εf ) εf −εi , (209)
f ∈R R
2
As t becomes larger, the central bump falls entirely within R, and then the
density of states can also be considered effectively constant over the sharply
peaked integrand. Hence, we take ρ(εf ) outside the integral also, in this
limit:
Z " εf −εi #2
X h i sin t
2 2
Pi→f (t) ≈ |hf |V |ii| ρ(εf ) dεf εf −εi , (210)
εf =εi R
f ∈R 2
Finally, since the central peak is contained entirely within R, we may let the
limits of integration go to ±∞.
We wish to evaluate the integral:
Z ∞ " εf −εi #2 Z ∞
sin 2
t sin2 x
dεf εf −εi = 2t dx . (211)
−∞
2
−∞ x2
1 1 − e2ix
sin2 x = (1 − cos 2x) = < , (212)
2 2
and consider the contour integral:
1 I 1 − e2iz
dz = 0 (213)
2 C z2
around the contour in Fig. 5 The integral around the large semicircle is zero
32
y
R
ε
x
Figure 5: Contour for the evaluation of the integral in Eqn. 213.
in the limit R → ∞. The desired integral is thus minus the integral around
the small semicircle, in the limit → 0:
Z ∞ Z iθ
sin2 x 0 1 − e2ie
dx = − lim i dθ (214)
−∞ x2 →0 π 22 e2iθ
Z 0
i
= − (−2i) dθ (215)
2 π
= π. (216)
Hence, X
Pi→f (t) ≈ Γt, (217)
f ∈R
1. The time t is too “short”. We must have the central bump within the
region of interest. That is, we must have (∆ε)R large compared with
33
2π/t, i.e.,
2π
t> . (219)
(∆ε)R
2. The time t is too “long”. If t is too long, then there may be only a
few states within the central bump (not a problem if the spectrum is
continuous, of course). Suppose δε is the level spacing in the region of
interest. This spacing must be small compared with 2π/t for the above
analysis. That is, we must have
2π
t . (220)
δε
Furthermore, if t becomes too long, the initial state becomes depleted,
and the transition rate will no longer be constant.
Let us apply this framework to the case of a particle in a box of volume
L3 .2 Turn on the potential V (x) inside the box. Start with a particle in
momentum state p, and ask for the rate at which it transitions to other
momentum states, p0 . The matrix element of V (x) between momentum
states is
Z 0
0 e−ip ·x
3 eip·x
hp |V |pi = d (x) 3/2 V (x) 3/2 (221)
L3 L L
0 3
= V̂ (p − p)/L , (222)
This version of Fermi’s Golden Rule must be applied in the context of a sum
over states |f i, that is, there must be an integral over the delta function.
2
We have in mind that we will eventually take the limit as the box size becomes infinite,
and develop this into a theory for scattering.
34
Using Eqn. 224, the transition rate for p → p0 is:
|V̂ (p0 − p)|2 0
Γp→p0 = 2π δ(εp − εp ), (225)
L6
where
p2
εp = . (226)
2m
The rate Γ here is actually a differential decay rate. Let us apply it to obtain
the rate of scattering, dΓ, into an element of solid angle dΩ0 :
X
dΓ = Γp→p0 . (227)
p0 ∈dΩ0
35
Thus, we have
Z
L3 3 0 |V̂ (p0 − p)|2
dΓ = d (p )2π δ(εp0 − εp ) (234)
p0 ∈dΩ0 (2π)3 L6
Z ∞
dΩ0 m
= p0 dεp0 |V̂ (p0 − p)|2 δ(εp0 − εp ) (235)
L3 (2π)2 0
dΩ0 mp
= |V̂ (p0 − p)|2 , (236)
L3 (2π)2
0 0
where p0 = |p|Ω̂ Ω a unit vector in dΩ0 .
Ω , with Ω̂
We may think of this example as a “scattering experiment” since the
potential is effectively “turned on” as the incident particle nears it. As long as
the potential falls off rapidly enough at large distances, the use of free particle
wave functions for the incident wave at early times and for the scattered wave
at late times is a plausible approximation to make. If we suppose that we
have a beam of incident particles, then Eqn. 236 tells us the rate at which
particles scatter into dΩ0 per incident particle in volume L3 . The flux of
particles per incident particle of momentum p in volume L3 is just:
1 p
Number of beam/area/time = 3 |v| = . (237)
L mL3
This may be seen by interpreting the factor 1/L3 as the number of beam
particles per unit volume (i.e., we have normalized our wave to one parti-
cle in the box of volume L3 ), and |v| (the speed of a beam particle) gives
the distance per unit time. Dividing the rate by this flux, we obtain the
differential scattering cross section:
dσ m2
0
= 2
|V̂ (p0 − p)|2 . (238)
dΩ (2π)
This formula is referred to as the Born Approximation (or, as the “first”
Born approximation) for the differential cross section. Notice that the size
of the box has disappeared once we have divided out the incident flux; we
expect the formula to apply in the limit of infinite spatial extent (i.e., in the
continuum limit).
R
Actually, the integral 0∞ sin xdx = 1 may be a bit suspicious. However, we
get the same result if we consider scattering on a Yukawa potential and take
the limit as the Yukawa range goes to infinity. Writing
where p2 = 2mE, and θ is the scattering angle. This result may be recog-
nized as the Rutherford cross section. There should be some real concern
whether we had any business applying the Born approximation here, since
the Coulomb potential falls off so slowly with distance. We’ll discuss this
issue further later.
7.4 Decays
We are sometimes faced with the problem of describing a decay process, such
as the radioactive decay of a nucleus, in which a particle of momentum p
37
is produced. To be more explicit, suppose that we have a nucleus in an
initial state |ii which decays to a final state |f i plus a particle in momentum
state |pi. We’ll neglect the nuclear recoil here, i.e., we’ll assume that the
momentum p is small compared with the nuclear masses involved.
Assume that we know the interaction matrix element, hf ; p|V |ii for the
decay. The differential rate to emit the particle into solid angle element dΩ
is
Z ∞
mpL3
dΓ = dΩ dεp 2π|hf ; p|V |ii|2 δ(Ei − Ef − εp ) (249)
0 (2π)3
mpL3
= dΩ |hf ; p|V |ii|2 , (250)
(2π)2
38
7.5 Adiabatically Increasing Potential
Earlier, we considered that our potential was turned on more-or-less suddenly
at some time t0 . Let us consider the situation where the potential is turned
on very slowly, compared with some relevant time scale. We’ll see that this
case is not fundamentally different from our previous discussion, in the spirit
of the perturbative nature of the interaction.
Let us consider a situation where we imagine a slow turn-on of a potential,
for example, suppose we have an atom in state |ii which we subject to an
electromagnetic field which is slowly increased from zero. A measure of
“slow” here must mean that the rate of energy change associated with the
external field must be small compared with the orbit frequency of the atomic
electrons, i.e., the time scale for significant variation must be longer than
a0 1 1
∼ ∼ ∼ 10−16 s. (255)
v mα α
Formally, we may turn on a potential, V, slowly by writing
Vt = eγt V, (256)
where γ > 0 so that V−∞ → 0. We’ll assume here that V itself is independent
of time. To first order in time-dependent perturbation theory:
Z t
1
|ψ(t)i = |ψ(t0 )i + dt1 V (t1 )|ψ(t0 )i. (257)
i t0
Consider the transition from |ii to |f i, assuming |ii and |f i are orthogonal.
The transition amplitude, in first order, is:
1Z t
hf |ψ(t)i = dt1 hf |V (t1 )|ii (258)
i t0 →−∞
Z
1 t
= dt1 hf |eiH0 t1 Vt1 e−iH0 t1 |ii (259)
i −∞
1Z t
= dt1 ei(εf −εi )t1 eγt1 hf |V |ii (260)
i −∞
eγt+i(εf −εi )t
= hf |V |ii. (261)
εi − εf + iγ
The resulting transition probability is:
e2γt
|hf |ψ(t)i|2 = |hf |V |ii|2 . (262)
(εf − εi )2 + γ 2
39
The dependence of this probability on energy is in the form of a Breit-
Wigner distribution, or of a Cauchy probability distribution. The energy
0.8
0.6
0.4
0.2
0
-4 -3 -2 -1 0 1 2 3 4
40
where A is a constant to be determined by matching the normalization in
the γ → 0 limit:
Z ∞
2γ
A = dεf (265)
−∞ (εf − εi )2 + γ 2
Z ∞
dx
= 2 (266)
−∞ 1 + x2
= 2π. (267)
which we recognize as Fermi’s Golden rule once again! We observe that this
rule is robust with respect to the details of how the perturbing potential is
turned on.
41
ψ (x)
0 L
ψ ( θ x)
0 L/θ
Figure 7: Illustration of the scaling of the wave function corresponding to
the scaling of the potential.
42
of negative eigenvalues is n = [ Vω0 − 12 ]. Now consider modifying the potential
from V (x) = −V0 + 12 kx2 to
1
θ2 V (θx) = −θ 2 V0 + θ4 kx2 , (276)
2
giving the spectrum:
2 1
Σ[H(θ)] = θ −V0 + n + . (277)
2
The solution for the number of negative eigenvalues is the same as before.
Now consider, for a finite dimensional Hilbert space the following “min-
max” theorem:
Theorem: Let Q be a Hermitain N × N matrix, with eigenvalues:
λ 1 ≤ λ2 ≤ . . . ≤ λ N . (278)
Let Pk , 1 ≤ k ≤ N be the set of Hermitian projections onto a k-
dimensional subspace. Then:
!
λn = min max hψ|Q|ψi , (279)
F ∈Pn ψ∈F,kψk=1
where we use the symbol F to mean both the projection operator onto
a subspace, and the corresponding subspace itself.
This theorem tells us that we can find the nth eigenvalue by first finding
the maximum of hψ|Q|ψi for all unit vectors ψ in a fixed n-dimensional
subspace F , and then minimizing the result as a function of F . If we don’t
minimize, then we obtain an upper bound on λn . The case n = 1 corresponds
to the variational principle we have already discussed, since the subspaces are
then one-dimensional, hence there is only one unit vector in each subspace
(i.e., there is no maximization step required), and our minimization step is
only to the extent of our trial function parameterization. The case n = N is
also trivial, since then F = H, and there is thus no minimization step.
43
P
where Ek E` = δk` and I = N k=1 Ek . That is, the Ek are Hermitian
projections into one-dimensional subspaces. Then we can write:
N
X n
X
Q = λn I + (λk − λn )Ek − (λn − λk )Ek . (281)
k=n k=1
where taking the absolute values does not alter the validity, since each
term in the two sums is non-negative. Now let F be any n-dimensional
subspace, and let ψ ∈ F . Select ψ to be orthogonal to E1 , E2 , . . . , En−1 ,
that is, orthogonal to these n−1 projections. This is certainly possible,
since there are n independent directions in F . Then we have:
N
X
hψ|Q|ψi = λn + | (λk − λn )Ek | (283)
k=n
≥ λn . (284)
Now select F orthogonal to En+1 , En+2 , . . . , EN . Again, this is certainly
possible, since there are still n directions left. In this case,
n
X
hψ|Q|ψi = λn − | (λn − λk )Ek | (285)
k=1
≤ λn . (286)
For both statements 284 and 286 to be true, we must have the statement
in the theorem.
From the minmax theorem, it follows that:
Theorem: Let Q and V be N × N Hermitian matrices, and let:
Q̂ ≡ Q + V. (287)
Also, let the spectra of these operators be denoted:
Σ(Q) = {λ1 ≤ λ2 ≤ . . . ≤ λN }, (288)
Σ(Q̂) = {λ̂1 ≤ λ̂2 ≤ . . . ≤ λ̂N }, (289)
Σ(V ) = {V1 ≤ V2 ≤ . . . ≤ VN }. (290)
44
Then
λn + VN ≥ λ̂n ≥ λn + V1 . (291)
9 Exercises
1. Prove the theorem quoted in section 2.3:
E0 ≤ hψ|H|ψi ≤ E1 , (295)
then
hHψ|Hψi − hψ|H|ψi2
E0 ≥ hψ|H|ψi − . (296)
E1 − hψ|H|ψi
45
nuclear charge Z, and N electrons. The Hamiltonian of interest is:
H(Z, N ) = Hkin − ZVc + Ve (297)
N
X p2n
Hkin = , (298)
n=1 2m
where (299)
N
X 1
Vc = α (300)
n=1 |xn |
X 1
Ve = α (301)
N ≥j>k≥1|xk − xj |
m = electron mass (302)
α = fine structure constant. (303)
Denote the ground state energy of H(Z, N ) by −B(Z, N ), with B(Z, 0) =
0.
(c) Do your results make sense? If not, can you figure out what is
wrong, and whether the calculation we did for He is to be trusted?
where f and θ are real, and > 0. We showed that, in the situation
where is very small, and θ has a stationary point at x = x0 , this
integral is approximately:
s
√ iθ(x0 )/ i π4 sign[θ 00 (x0 )] 2π
I() = f (x0 )e e [1 + O()] . (316)
|θ00 (x 0 )|
47
If there is more than one stationary point, then the contributions are
to be summed.
To get a little practice applying this method, evaluate the following
integral for large t:
Z 1 h i
J(t) = cos t(x3 − x) dx. (317)
0
48
expression in terms of the unperturbed energies and expectation
2 2
values of er and ( er )2 . Do not actually do the integration over
r here, but reduce the problem to such integrals. Make sure you
understand all of your steps.
(b) Now apply your formula to obtain the first-order relativistic ki-
netic energy correction to the ground state energy of hydrogen.
Express your answer as a multiple of the unperturbed ground state
energy, and also calculate the size of the correction in eV.
(a) Write down the perturbing potential, V . [Note that we need only
consider the electron’s coordinates, relative to the nucleus – why?]
Calculate the commutator [V, Lz ], and hence determine the matrix
elements of V between states with different eigenvalues of Lz .
(b) You should have found a “selection rule” which simplifies the prob-
lem. What is the degeneracy that needs to be addressed in the
problem now that you have made this calculation?
(c) Using the invariance of the hydrogen atom Hamiltonian under
parity, write down the remaining matrix elements of V which need
to be determined, and compute their values.
(d) Now complete your degenerate perturbation theory calculation to
determine the splitting of the states in the applied electric field.
Calculate numerical splittings (in eV) for an applied field of 100
kV/cm. Also, estimate the “typical” electric field felt by the elec-
tron, due to the nucleus, in a hydrogen atom. Was the use of
perturbation theory reasonable for this problem?
49
we cannot use degenerate perturbation theory, and ordinary perturba-
tion theory looks unreliable. Let us try to deal with such a situation:
Suppose the two eigenstates |ni and |mi of H0 have nearly the same en-
ergy (and all other eigenstates don’t suffer this disease, for simplicity).
Let H = H0 + V , and write
X
V = |iihi|V |jihj| (320)
i,j
H0 |ii = εi |ii, (321)
where
V = V1 + V2 , (323)
with
50
(b) As an application, consider an electron in a weak one-dimensional
periodic potential (“lattice”) V (x) = V (x + d). Assume the lat-
tice has a size L = N d, and that we the have periodic boundary
condition on our wave functions: ψ(x) = ψ(x + L). With this
boundary condition, the unperturbed wave functions are plane
waves, ψp (x) = √1L eipx , where p = 2πn/L, n=integer, and the
2
p2 2πn 1
unperturbed eigenenergies are εn = 2m
= L 2m
. We expand
the potential in a Fourier series:
∞
X
V (x) = ein2πx/d Vn
n=−∞
hq|V |pi
51
Ep
|V0 |
p
- π /d 0 π /d
53
Physics 125c
Course Notes
Approximate Methods
Solutions to Problems
040415 F. Porter
1 Exercises
1. Prove the theorem quoted in section ??:
Theorem: If we have a normalized function |ψi such that
E0 ≤ hψ|H|ψi ≤ E1 , (1)
then
hHψ|Hψi − hψ|H|ψi2
E0 ≥ hψ|H|ψi − . (2)
E1 − hψ|H|ψi
Solution: The theorem is equivalent to the statement
hψ|H 2 ψi − hψ|H|ψi2 ≥ (hψ|H|ψi − E0 )(E1 − hψ|H|ψi). (3)
Notice that if we add a constant A to H, obtaining H 0 = H + A (hence
also En → En0 = En + A), both sides of this inequality are unaltered.
The left hand side is a measure of the width of the energy distribution
and is not altered by shifting the energy scale. Likewise, the right hand
side only depends on energy differences. Thus, as long as the spectrum
of H is bounded below, the problem is equivalent to a problem where
the spectrum is non-negative. In particular, we may simplify by taking
E0 = 0.
Hence, consider:
hψ|H 2 ψi − hψ|H|ψi2 − hψ|H|ψi(E1 − hψ|H|ψi)
= hψ|H 2 ψi − E1 hψ|H|ψi (4)
X X
= |cn |2 En2 − E1 |cn |2 En (5)
n=0 n=0
X
2
= |cn | En (En − E1 ) (6)
n=0
X
= |cn |2 En (En − E1 ), since E0 = 0, (7)
n=1
≥ 0, since each term in the sum is non-negative.
1
2. Let us pursue our variational approach to the estimation of ground state
energy levels of atoms to the “general” case. We consider an atom with
nuclear charge Z, and N electrons. The Hamiltonian of interest is:
H(Z, N ) = Hkin − ZVc + Ve (8)
N
X p2n
Hkin = , (9)
n=1 2m
where (10)
N
X 1
Vc = α (11)
n=1 |xn |
X 1
Ve = α (12)
N ≥j>k≥1|xk − xj |
m = electron mass (13)
α = fine structure constant. (14)
Denote the ground state energy of H(Z, N ) by −B(Z, N ), with B(Z, 0) =
0.
2
The expectation value of the potential energy of the electrons in
the fields of the other electrons is:
N (N − 1) 1 5
Ve = z mα2 . (18)
2 24
Putting these terms together, we have
1 5
hH(Z, N )iz = mα2 N z z − 2Z + (N − 1) (19)
2 8
We minimize with respect to z:
d 2 5 5
0= z − 2Zz + (N − 1)z = 2z − 2Z + (N − 1). (20)
dz 8 8
Thus, the minimum occurs at
5
z=Z− (N − 1) (21)
16
The variational bound on the (negative of the) ground state ener-
gies is then:
2
1 2 5
B̂(Z, N ) = −hH(Z, N )imin = mα N Z − (N − 1) . (22)
2 16
(b) Make a simple table comparing your variational bounds with the
observed ground state energies for lithium, beryllium, and nitro-
gen. Note that a simple web search for “ionization potentials” will
get you a multitude of tables of observed values, or you can look
at a reference such as the CRC Press’s Handbook of Chemistry
and Physics. The table entries are typically of the form:
B(Z, N ) − B(Z, N − 1).
3
Ionization Potentials for Lithium, Beryllium, and Nitrogen
(from http://www.chemistrycoach.com/ionization potentials f.htm)
Lithium Beryllium Nitrogen
1st I.P. 5.4 9.3 14.5
2nd I.P. 75.6 18.2 29.6
3rd I.P. 122 154 47.5
4th I.P. 218 77.5
5th I.P. 97.9
6th I.P. 552
7th I.P. 667
4
(c) Do your results make sense? If not, can you figure out what is
wrong, and whether the calculation we did for He is to be trusted?
5
tum is involved, and treat this as a one dimensional problem. Finally,
assume that the particle is unable to penetrate the earth’s surface.
(a) Make a WKB calculation for the energy spectrum of the particle.
Solution: The potential is
6
(b) If the particle is an atom of atomic weight A ∼ 100, use the result
of part (a) to estimate the particle’s ground state energy (in eV).
Is sunlight likely to move the particle into excited states?
Solution: If A = 100, then m ∼ 100 × 109 eV. Also,
g ∼ 10m/s2 (43)
1
∼ 10m/s2 × × 200MeV-fm × 10−15 m/fm
(3 × 108 m/s)2
∼ 2 × 10−23 eV. (44)
The ground state energy is (n = 0):
!1 2
9π 2 3
1 3
E0 = mg 2 (45)
8 2
−12
∼ 10 eV. (46)
Since photons in sunlight have energies of order eV, they will read-
ily excite such atoms into highly excited states in the gravitational
potential.
(c) Now make a variational calculation for the ground state energy
(i.e., an upper bound thereon). Pick a “sensible” trial wave func-
tion, at least in the sense that it satisfies the right boundary con-
ditions. Compare your result with the ground state level from the
WKB approximation.
Solution: The wave function must vanish at z = 0 and at z = ∞.
A simple trial function which satisfies these boundary conditions
is:
z
ψ(z) = √ e−z/2R , (47)
2R 3
where f and θ are real, and > 0. We showed that, in the situation
where is very small, and θ has a stationary point at x = x0 , this
integral is approximately:
s
√ iθ(x0 )/ i π4 sign[θ 00 (x0 )] 2π
I() = f (x0 )e e [1 + O()] . (57)
|θ00 (x 0 )|
If there is more than one stationary point, then the contributions are
to be summed.
To get a little practice applying this method, evaluate the following
integral for large t:
Z 1 h i
J(t) = cos t(x3 − x) dx. (58)
0
8
Solution: To start to get it into the desired form, write
Z 1
ei(t(x ) dx.
3 −x)
J(t) = < (59)
0
9
(b) Now do the same problem classically. That is, solve for the motion
at large times and large x. Again, compare the result with what
it would be for K = 0. Contrast with the quantum result.
6. We have solved the Schrödinger equation for the Hydrogen atom with
Hamiltonian:
p2 e2
H0 = − .
2m r
The kinetic energy term is non-relativistic – the actual kinetic energy
will have relativistic corrections.
(a) Obtain an expression for the next order relativistic (kinetic en-
ergy) correction to the energy spectrum of hydrogen. It is con-
venient to avoid taking multiple derivatives by using the unper-
turbed Schrödinger equation to eliminate them. Thus, write your
expression in terms of the unperturbed energies and expectation
2 2
values of er and ( er )2 . Do not actually do the integration over
r here, but reduce the problem to such integrals. Make sure you
understand all of your steps.
Solution: The relativistic kinetic energy is
q
T = p2 + m2 − m (65)
q
= m 1 + (p/m)2 − 1 (66)
1 1
= m (p/m)2 − (p/m)4 + O((p/m)6 ) . (67)
2 8
Thus, the next order relativistic correction to H0 is
1 p4
Hr = − . (68)
8 m3
Following the hint, notice that p4 = 4m2 (H0 − V )2 , where V =
−e2 /r. Thus, the perturbation Hamiltonian may be written
1 1 2
Hr = − (H0 − V )2 = − H0 − H0 V − V H0 + V 2 . (69)
2m 2m
To determine how the energy levels change in first order pertur-
bation theory, we take the expectation value of Hr with respect
10
to the unperturbed stationary state wave functions:
Er = hψn`m |Hr |ψn`m i (70)
1
= − hψn`m |H02 − H0 V − V H0 + V 2 |ψn`m i (71)
2m
1 2 2 1 4 1
= − E + 2En e h i + e h 2 i (72)
2m n r r
1 2 2 1 4 1
= − E + 2En e h i + e h 2 i . (73)
2m n r r
(b) Now apply your formula to obtain the first-order relativistic ki-
netic energy correction to the ground state energy of hydrogen.
Express your answer as a multiple of the unperturbed ground state
energy, and also calculate the size of the correction in eV.
Solution: The ground state wave function of hydrogen is:
2
ψ100 (x) = q e−r/a0 (74)
3
4πa0
As there is no dependence anywhere on the angular coordinates,
we are interested in the radial wave function
2
R10 (r) = q e−r/a0 . (75)
a30
Let us evaluate the integral:
Z ∞
Ik ≡ xk e−x dx, k≥0 (76)
0
Z ∞
dk
= lim (−)k e−ax dx (77)
a→1 dxk 0
= k!. (78)
Thus, in the hydrogen atom ground state:
Z
1 4 ∞ 1 −2r/a0 2
h ki = 3 e r dr (79)
r a0 0 rk
1 2 k
= (2 − k)!, k ≤ 2 (80)
2 a0
1 1
h i = (81)
r a0
1 2
h 2i = 2 (82)
r a0
11
Thus, the first-order relativistic energy correction to the ground
state enrgy of hydrogen is (noting that E0 = − 12 mα2 is the un-
perturbed ground state energy, and that a0 = 1/mα):
!
1 1 2
Er = − E02 + 2E0 e2 + e4 2 (83)
2m a0 a0
1 1 2 4
= − m α − m2 α4 + 2m2 α4 (84)
2m 4
5 2 1 5
= − α mα2 = α2 E0 (85)
4 2 4
= 0.91 meV. (86)
(a) Write down the perturbing potential, V . [Note that we need only
consider the electron’s coordinates, relative to the nucleus – why?]
Calculate the commutator [V, Lz ], and hence determine the matrix
elements of V between states with different eigenvalues of Lz .
Solution: We are interested in computing the shift in the n = 2
energy levels (note that n is the principal quantum number here).
These energy levels are computed with the center-of-mass motion
separated out. Since the hydrogen atom is neutral, there is no
effect on the center-of-mass motion of turning on this electric field.
Hence, we only need consider the relative motion between the
electron and the nucleus. Effectively, we have an electric dipole
interacting with the electric field. The perturbing potential is
12
Thus, h`0 m0 |V |`mi = δmm0 h`0 m|V |`mi, that is, the matrix element
is zero unless m = m0 .
(b) You should have found a “selection rule” which simplifies the prob-
lem. What is the degeneracy that needs to be addressed in the
problem now that you have made this calculation?
Solution: The degeneracy that concerns us is the one between
states with like eigenvalues of Lz . These are the states |2S0 i and
|2P0 i.
(c) Using the invariance of the hydrogen atom Hamiltonian under
parity, write down the remaining matrix elements of V which need
to be determined, and compute their values.
Solution: Because V = eEr cos θ is odd under parity, the ex-
pectation value of V is zero between states of like parity. As the
unperturbed Hamiltonian commutes with parity, its eigenstates
may be expressed as eigenstates of parity. In particular, the P
states have odd parity, and the S states have even parity. Hence
the only (potentially) non-zero matrix elements of V in the four-
dimensional subspace we are considering here are h2S0 |V |2P0 i and
h2P0 |V |2S0 i. Since our wave functions are real (by convention),
these two matrix elements are equal.
The hydrogenic wave functions we need are (from solutions to
problem 40):
1 1 1
ψ200 = √ √ 3/2 (2 − r/a0 )e−r/2a0 (89)
4π 2 2 a0
s
3 1 1 r
ψ210 = cos θ √ 3/2 2 e−r/2a0 . (90)
4π 4 6 a0 a0
13
1 1 Z∞ 2 r
√ 3 r drr(2 − r/a0 ) e−r/a0 (93)
8 3 a0 0 a0
a0 Z ∞ 4
= −eE x (2 − x)e−x dx (94)
3·8 0
a0
= −eE (2 · 4! − 5!) (95)
3·8
= 3eEa0 . (96)
The perturbing Hamiltonian may thus be written, in the |2S0 i, |2P1 i, |2P0 i, |2P−1 i
basis:
0 0 1 0
0 0 0 0
V = 3eEa0 . (97)
1 0 0 0
0 0 0 0
(d) Now complete your degenerate perturbation theory calculation to
determine the splitting of the states in the applied electric field.
Calculate numerical splittings (in eV) for an applied field of 100
kV/cm. Also, estimate the “typical” electric field felt by the elec-
tron, due to the nucleus, in a hydrogen atom. Was the use of
perturbation theory reasonable for this problem?
Solution: The eigenstates of the perturbing Hamiltonian are:
1
√ (|2S0 i + |2P0 i) (98)
2
1
√ (|2S0 i − |2P0 i) (99)
2
|2P1 i (100)
|2P1 i, (101)
with eigenvalues 3eEa0 , −3eEa0 , 0, 0, respectively. In a 100
kV/cm field,
3eEa0 ∼ 3 × 100 keV/cm0.5 × 10−8 cm (102)
= 1.5 × 10−3 eV. (103)
The “typical” electric field felt by the electron in the field of the
proton is:
e2 /r 2 × −13.6 eV
Ep ∼ = (104)
er e × 0.5 × 10−8 cm
9
∼ 5 × 10 kV/cm. (105)
14
The use of perturbation theory for this problem appears justified.
V = V1 + V2 , (109)
with
15
(You may also use the shorthand
(1)
En,m = εn,m + hn, m|V |n, mi
if you find it convenient.)
Solution: A vector |ii in our restricted subspace is of the form:
|ii = α|mi + β|ni, (112)
where |mi and |ni are eigenstates of H0 with eigenvalues εm and
εn , respectively. Schrödinger’s equation with Hamiltonian H1 =
H0 + V1 is:
εm + hm|V |mi hm|V |ni α α
=E . (113)
hn|V |mi εn + hn|V |ni β β
We find eigenvalues E by taking the determinant:
εm + hm|V |mi − E hm|V |ni
= 0. (114)
hn|V1 |mi εn + hn|V |ni − E
Letting Vij ≡ hi|V |ji = Vji∗ , we find eigenvalues E± :
q
1 (1) (1) (1)
E± = E + En(1) ± (Em − En )2 + 4|Vmn |2 . (115)
2 m
The corresponding eigenvectors are determined by:
(1)
Em α± + Vmn β± = E± α± (116)
(1)
En β± + Vnm α± = E± β± (117)
Hence,
(1)
E± − Em
β± = α± . (118)
Vmn
Imposing the normalization |α± |2 + |β± |2 = 1, and choosing α±
real and positive, we have:
v
u (1)
u (E± − Em )2
t
α± = 1/ 1 + (119)
|Vmn |2
v !2
u
u Vmn 2
Vmn
β± = 1/t + (1)
(120)
|Vmn | (E± − Em )2
The eigenvectors are thus,
|±i = α± |mi + β± |ni. (121)
16
(b) As an application, consider an electron in a weak one-dimensional
periodic potential (“lattice”) V (x) = V (x + d). Assume the lat-
tice has a size L = N d, and that we the have periodic boundary
condition on our wave functions: ψ(x) = ψ(x + L). With this
boundary condition, the unperturbed wave functions are plane
waves, ψp (x) = √1L eipx , where p = 2πn/L, n=integer, and the
2
p2 2πn 1
unperturbed eigenenergies are εn = 2m
= L 2m
. We expand
the potential in a Fourier series:
∞
X
V (x) = ein2πx/d Vn
n=−∞
hq|V |pi
X∞
= Vn δN n,(nq −np ) . (124)
n=−∞
17
2π 2
2 2
Now εnp − εnq = mL 2 (np − nq ), and hq|V |pi = 0 unless nq =
18
2π 2 n2p md2 ∞
X |Vn |2
= + V0 − (137)
mL2 2π 2 n=−∞,6=0
n(n + 2np /N )
Ep
|V0 |
p
- π /d 0 π /d
π2 π2
εnp = (n + )2 , εn q = (n − )2 . (140)
2md2 2md2
The matrix elements we need are:
20
gives acceptable wave functions. “Acceptable” here means that the
probability to find a particle in the box must be constant. Are there
other acceptable choices?
Solution: The Schrödinger equation for a free particle is
1 2
−i∂t ψ(x, t) = − ∂ ψ(x, t). (149)
2m x
We suppose that an “acceptable” wave function is one which has a
constant probability to be in the “box” (−L/2, L/2):
Z
d L/2
|ψ(x, t)|2 dx = 0. (150)
dt −L/2
It is readily verified that the function
2π 2 2π
φ(x, t) = ei mL2 t sin x (151)
L
has the desired property.
If we admit φ(x, t) as an acceptable solution, and if ψ(x, t) is any other
acceptable solution, then φ + ψ must be acceptable, since any linear
combination of acceptable solutions must be acceptable. Hence, we
must have:
Z
d L/2
|ψ(x, t)|2 dx = 0; (152)
dt −L/2
Z
d L/2
|φ(x, t)|2 dx = 0; (153)
dt −L/2
Z
d L/2
|ψ(x, t) + φ(x, t)|2 dx = 0. (154)
dt −L/2
Then we may write (assuming Eqns 152 and 153):
d Z L/2
0 = [ψ(x, t)φ∗ (x, t) + ψ ∗ (x, t)φ(x, t)] dx (155)
dt −L/2
Z L/2
= ∂t [ψ(x, t)φ∗ (x, t) + ψ ∗ (x, t)φ(x, t)] dx (156)
−L/2
i Z L/2 h 2 ∗ i
= ∂x ψ φ − ψ ∂x2 φ + ψ ∗ ∂x2 φ − ∂x2 ψ ∗ φ dx
(157)
2m −L/2
Z L/2
= ∂x [(∂x ψ) φ∗ − ψ (∂x φ) + ψ ∗ (∂x φ) − (∂x ψ ∗ ) φ] dx (158)
−L/2
L/2
= [(∂x ψ) φ∗ − ψ (∂x φ) + ψ ∗ (∂x φ) − (∂x ψ ∗ ) φ]−L/2 . (159)
21
But φ(±L/2, t) = 0, so
L/2
0 = [−ψ(∂x φ∗ ) + ψ ∗ (∂x φ)]−L/2 . (160)
Further, since
2π i 2π22 t
∂x φ(±L/2, t) = − e mL , (161)
L
we obtain
2π 2 2π 2 2π 2 2π 2
0 = ψ(L/2, t)e−i mL2 t −ψ(−L/2, t)e−i mL2 t +ψ ∗ (L/2, t)ei mL2 t −ψ ∗ (−L/2, t)ei mL2 t .
(162)
iθ
This must be true for all times; also if ψ is acceptable, then e ψ must
be acceptable, for real θ. Hence, ψ is acceptable if and only if Eqn. 152
holds, and:
ψ(L/2, t) = ψ(−L/2, t). (163)
2π 2
We note that the function ei mL2 t cos 2π
L
x satisfies these criteria. Thus,
we could also have picked
2π
2π 2
φ(x, t) = ei mL2 t cos
x (164)
L
as an acceptable solution. Then the same argument reveals that any
other acceptable solution ψ must satisfy the boundary condition:
∂x ψ(L/2, t) = ∂x ψ(−L/2, t). (165)
2 2π 2 2 2
in t n 2π
We finally remark that the set of functions e mL2 sin 2πn
L
x, ei mL2 t cos 2πn
L
x; n = 0, 1, . . .
is a complete set of functions with the required boundary conditions.
10. See if you can generalize the result for the first Born approximation:
dσ m2
= |V̂ (p0 − p)|2 . (166)
dΩ0 (2π)2
to the case where the scattered particle (mass mf ) may have a different
mass than the incident particle (mass mi ).
Solution:
dσ mi mf pf
0
= 2
|V̂ (pf − pi )|2 . (167)
dΩ (2π) pi
22
11. We consider the potential (called the “Yukawa potential”):
Ke−µr
V (x) = , r = |x|,
r
with real parameters K and µ > 0. The parameter K can be regarded
as the “strength” of the potential (“interaction”), and µ1 is effectively
the “range” of distance over which the potential is important. µ itself
has units of mass – note that as µ → 0 we obtain the Coulomb potential:
µ can be thought of as the mass of an “exchanged particle” which
mediates the force. In electromagnetism, this is the photon, hence
µ → mγ = 0
23
mK 2
− − Kµ < 0 (173)
2n2
µ m
− < 2. (174)
K 2n
(b) Using the Born approximation for the differential cross section
that we developed in our discussion of time-dependent perturba-
dσ
tion theory, calculate the differential cross section, dΩ , for scatter-
ing on this potential. Consider the limit µ → 0 and compare with
the Coulomb differential cross section we obtained in the notes.
Solution:
4πK
V̂ (p) = . (175)
µ2 + p2
dσ m2 0 2 4m2 K 2
= |V (p − p)| = 2 . (176)
dΩ (2π)2 µ2 + 4p2 sin2 2θ
(c) Integrate your differential cross section over all solid angles to
obtain the “total cross section”. Again, consider the limit µ → 0.
Hence, what is the total cross section for scattering on a Coulomb
potential?
Solution:
16πm2 K 2
σT = . (177)
µ2 (µ2 + 4p2 )
24
Physics 125
Course Notes
Scattering
040407 F. Porter
Contents
1 Introduction 1
2 The S Matrix 2
5 Optical Theorem 13
6 Interim Remarks 15
7 Resonances 16
10 Angular Distributions 40
11 Exercises 44
1 Introduction
Much of what we learn in physical investigations is performed by “scattering”
objects off of one another. The quantum mechanical theory for scattering
1
processes is thus an important subject. We have already gotten a glimpse
into how to deal with scattering in our discussion of time-dependent pertur-
bation theory, and in our investigation of angular momentum. We carry this
development further in this note and derive more of the important concepts
and tools for dealing with scattering. Many of the results we obtain will in
fact be applicable to relativistic processes.
We start by developing the basic physical picture and mathematical for-
malism for a simple situation with the essential features. That is, we begin
by considering the problem of the scattering of a spinless particle of mass
m > 0 from a fixed, static, spherically symmetric center of force, centered at
the origin. Assume further that the force is of “finite range” – far enough
away, any wave packet acts as if there is no force.1 In another view, consid-
ering the spreading of the wave function, as t → ±∞, the wave packet is so
spread out that little of it is affected by the force field.
2 The S Matrix
Let φ(p, t) be the momentum space wave function of the scattering wave
packet. Assume it is normalized: hφ|φi = 1. The time dependent Schrödinger
equation is:
i∂t φ(p, t) = Hφ(p, t), (1)
√ 2
where H includes the influence of the force. Let E(p) = m + p2 , or p2 /2m
in the non-relativistic case, where p = |p|. We restrict consideration to the
subspace in which φ(p, t) is orthogonal to any bound state wave functions,
if any exist. That is, we restrict ourselves to “scattering”, in which the wave
function can be considered to be far away from the center of force at large
times.
Corresponding to φ(p, t) (an exact solution to the Schrödinger equation
for a possible scattering event), define the notion of an “initial” wave function,
φi (p), by taking the following limit at asymptotically early times:
1
The Coulomb force is thus excluded by this criterion. As seen in the exercises of
the Approximate Methods note, the cross section for the Coulomb interaction is infinite.
However, we have also seen how the Coulomb force may be treated as a limiting case.
2
That is, φi (p)e−itE(p) is a solution to the Schrödinger equation in the absence
of the scattering force. Likewise, we define a “final” wave function according
to:
φf (p) = lim φ(p, t)eitE(p) . (3)
t→∞
if the motion were strictly force-free for all times. A similar correspondence
holds for the asymptotic final state wave function. Thus, our initial and final
phases are “matched” to the t = 0 phase for the case of no force. Of course,
even with a force, φi (p) determines φ(p, t), and hence φf (p). We note that it
is convenient to deal with momentum space wave functions in this discussion
of scattering, because the coordinate space wave functions in general become
infinitely “spread out” as t → ∞.
We are couching our discussion in terms of physically realizable wave
packets here. Typically, textbooks resort to the use of (“unphysical”) plane-
wave states, which simplifies the treatment somewhat, at the expense of
requiring further justification. It is reassuring to find that we can obtain
the same results by considering only physical states. Thus, our development
follows closely the nice pedagogical treatment in Ref. [1].
We are interested in the problem of determining φf , given φi . In principle,
this requires solving the Schrödinger equation with φi specifying the initial
boundary condition. Usually, however, we do not require the explicit detailed
solution – we are interested in only certain aspects of the relation between
φi and φf , such as the force-induced phase difference.
The transformation giving φf , in terms of φi is a linear transformation,
which also preserves the normalization of the wave packet. Hence, it is a
unitary transformation:
|φf i = S|φi i, (6)
3
where
SS † = I. (7)
The unitary operator S is called the S matrix.
In general, we may represent the S matrix as an integral transform:
Z
φf (p) = d3 (q)S(p, q)φi (q), (8)
(∞)
The scattering matrix S(p, q) contains precisely all the information which is
available in an “asymptotic” experiment, as described by φi , φf , where the
details of what happens near the origin are not observed.
Consider briefly the classical analog, for the classical scattering of a parti-
cle of mass m on a static, spherically symmetric force centered at the origin.
The motion is described by canonical variables x(t) and p(t), which may be
obtained by solving the Hamilton equations of motion:
The quantities x(t) and p(t) are the classical analog of φ(p, t), since they
describe the detailed behavior of the particle. As long as the force falls off
sufficiently rapidly at large distances, the motion at large distances and times
(presuming no bound states are involved) is uniform:
(
xi + pi t/m, as t → −∞,
x(t) = (12)
xf + pf t/m, as t → ∞.
Thus, we can define the “initial” and “final” asymptotic values as:
t
pi = lim p(t), xi = lim x(t) − pi (13)
t→−∞ t→−∞
m
t
pf = lim p(t), xf = lim x(t) − pf . (14)
t→∞ t→∞ m
4
In particular, xi , xf are (or rather, is) the positions that would occur at
t = 0 if the motion were strictly uniform for all times, with the asymptotic
momenta. Thus, (xi , pi ) is the analog of φi (p), and (xf , pf ) is the analog of
φf (p).
Once again, specification of (xi , pi ) uniquely determines (xf , pf ), and the
transformation giving this relationship is the analog of the S matrix. Note
that, in the absence of a force field,
x i = xf , p i = pf . (15)
or
5
In the absence of a force, φf (p) = φi (p), hence S = I and φs (p) = 0. Thus,
the name “scattered wave” is appropriate for φs (p).
Since the scattering force is assumed to be stationary, energy is conserved
in the scattering event (e.g., for an infinitely heavy source of force, any finite
momentum transfer to the source yields zero kinetic energy transfer). Hence,
the asymptotic initial and final magnitudes of momenta will be equal. We
may thus write:
where p = |p|, q = |q|, and we have extracted the factor δ(p − q) from the
integral transform for S − I. Thus, we have:
Z
φs (p) = d3 (q)δ(p − q)T (p, q)φi (q). (25)
(∞)
Note that T (p, q) is “physical” only for p = q (“on the energy shell”), though
it is sometimes useful to extend its domain of definition analytically “off-
shell”.
Let {φ0 (p; α) | α ∈ some index set} be a set of potential wave packets,
such as might be available in a given experimental arrangement (e.g., a beam
delivered by an accelerator). We assume that the particles in our “beam” all
have approximately the same momentum pi , i.e.,
Assume further that hφ0 |φ0 i = 1 for all α, and that pi is in the 3-direction:
pi = pi ê3 . The index α is a “shape parameter”, since we use it to specify
the shape of the incident wave packet of a particle in the beam. note that
different particles may have different wave packets. We consider the packet
6
u is not too close to the forward direction defined by pi , this probability is
just the probability that the particle’s momentum after scattering is in dΩu :
Z ∞
P (u; α; x) = p2 dp |φs (pu; α; x)|2 (29)
Z0 ∞ Z Z
= p2 dp d3 (q) d3 (q0 )δ(p − q)δ(p − q 0 ) (30)
0 (∞) (∞)
0
T (pu, q)T ∗ (pu, q0 )φ0 (q; α)φ∗0 (q0 ; α)e−ix·(q−q ) . (31)
where we have made use of the fact that q = q 0 for non-vanishing contribu-
tions.
The point of the parameters α, x is the following: We wish to make sure
that our formalism is valid for real experimental situations, i.e., that we have
not left out some essential feature in our theory for describing experimen-
tal situations. Thus, we assume that the real exdperimental “beam” is a
statistical ensemble of wave packets φ0 (p; α; x). Thus, the parameter x de-
scribes the displacement of a wave packet in this ensemble from some “ideal”
(i.e., x = 0) position, and α describes the shape of the wave packet in the
ensemble of shapes. The ensemble is described by specifying the probabil-
ity distributions for x and α, which depends on the particular experimental
arrangement. Note that we are interested here in scattering of a “one particle
beam” on a “one particle target”, i.e., correlations among particles in the
beam or in the target are assumed to be zero.
Let P (u)dΩu be the probability that a beam particle comes out in dΩu
about u. We compute P (u) by averaging P (u; α; x) over the ensemble prob-
ability distribution:
Z Z
1
P (u) = f (α)dα 2 d2 (x)P (u; α; x), (34)
{α} πR |x|≤R
7
The other integral is evaluated on a circular disk centered on the origin
and perpendicular to the beam direction. We have assumed here that the
probability distribution for x is uniform over the disk, and that the size of
the disk (or, size of the uniform region of the beam) is large compared with
relevant target dimensions (e.g., atomic or nuclear sizes). These assumptions
may be modified as the situation warrants.
beam
R
^
e 3
This cross section is the differential cross section, per scattering center, which
we would observe experimentally with our given beam (e.g., the observed
event rate for a scattering is equal to dσeff times the “luminosity”). It de-
pends on the properties of our beam (i.e., the probability distributions for α
and x) and hence, is an “effective” cross section rather than a “fundamental”
cross section depending only on the interaction. We wish to define such a
fundamental cross section and relate it to the S-matrix.
Consider the limit in which R → ∞, and the momentum in the beam is
sharply defined. First, for R → ∞:
Z Z
dσeff (u) = f (α)dα d2 (x)P (u; α; x) (38)
{α} (∞)
Z Z Z Z
= f (α)dα d2 (x) d3 (q) d3 (q0 )q 2 δ(q − q 0 ) (39)
{α} (∞) (∞) (∞)
8
0
T (qu, q)T ∗ (q 0 u, q0 )φ0 (q; α)φ∗0 (q0 ; α)e−ix·(q−q ) . (40)
Noting that
Z
0
d2 (x)e−ix·(q−q ) = (2π)2 δ(q1 − q10 )δ(q2 − q20 ), (41)
(∞)
we have:
Z Z Z
3
dσeff (u) = f (α)dα d (q) d3 (q0 )q 2 δ(q1 − q10 )δ(q2 − q20 )δ(q − q 0 )
{α} (∞) (∞)
9
does not vary significantly over the region where |φ0 (q; α)|2 is significant.
With this assumption, we may take:
q3 p3
|T (qu, q)|2 → i |T (pi u, pi )|2 = p2i |T (pi u, pi )|2 . (49)
|q3 | |pi3 |
Then
Z Z
dσeff (u) = (2πpi )2 |T (qu, q)|2 f (α)dα d3 (q)|φ0 (q; α)|2 (50)
{α} (∞)
2 2
= (2πpi ) |T (qu, q)| . (51)
Thus, in this limit, the effective cross section no longer depends on the precise
shape of the beam distribution. We interpret this limiting form as the desired
“fundamental” (differential) cross section, σ(pf ; pi ).
We may rewrite the S matrix, as an integral transform, in the form:
That is, the scattering cross section, appropriately, is the square of the scat-
tering amplitude. Note that the scattering amplitude has units of length.
We have defined a differential cross section, and related the S matrix to
the scattering amplitude. We have made some assumptions concerning the
physical situation, and the results may need to be modified in certain cases.
For example, there may be narrow “resonances” where the assumption that
the beam is well-defined compared with the variation in |T |2 breaks down,
and hence the effective and fundamental cross sections differ (Fig. 2).
10
σ
Figure 2: The fundamental cross section (narrow peak) may become smeared
out to the effective cross section (wide peak).
11
Now consider an eigenstate of J2 and J3 with eigenvalues j(j + 1) and
m = 0 (the initial momentum is along ê3 , hence hJ3 i = hL3 i = 0):
where the phase shifts, δj (p), are real functions of p. Substituting into
Eqn. 62, we have
Z
e2iδj (p) φ(p)Pj (up · u3 ) = dΩu0 B(p; up · u0 )Pj (u0 · u3 ). (66)
4π
The Legendre polynomials are complete, and obey the orthogonality relation:
Z 1
2
dzPj (z)Pj 0 (z) = δjj 0 . (69)
−1 2j + 1
12
Hence, we may expand:
∞
X 2j + 1 2iδj (p)
B(p, cos θ) = e Pj (cos θ), (70)
j=0 4π
or ∞
δ(p − q) X 2j + 1 2iδj (p)
S(p, q) = e Pj (cos θ), (71)
pq j=0 4π
where cos θ = up · uq . This result, Eqn. 71, is the partial wave expansion
for the S matrix.
When all phase shifts δj = 0, S = I, so we may write:
∞
δ(p − q) X h i
S(p, q) − δ (3) (p − q) = (2j + 1) e2iδj (p) − 1 Pj (cos θ). (72)
4πpq j=0
5 Optical Theorem
Let us consider more generally than the partial wave expansion the unitarity
of the S matrix:
Z
d3 (q)S(p0 , q)S ∗ (p00 , q) = δ (3) (p0 − p00 ). (75)
(∞)
Substitute in
i
S(p, q) = δ (3) (p − q) + δ(p − q)f (p, q), (76)
2πp
13
obtaining
14
Z
= |f (p, cos θ)|2 dΩ (86)
(4π)
Z 1 ∞ X ∞ h ih i
1 X 0 2iδj (p) −2iδj 0 (p)
= 2π dz (2j + 1)(2j + 1) e − 1 e − 1 Pj (z)Pj 0 (z)
−1 4p2 j=0 j 0 =0
4π X∞ h ih i
2iδj (p) −2iδj (p)
= (2j + 1) e − 1 e − 1 (87)
p2 j=0
∞
4π X
= (2j + 1) sin2 δj (p). (88)
p2 j=0
It is left as an exercise for the reader to show that this result agrees with the
optical theorem.
We conclude this section by remarking that the optical theorem is a rather
general consequence of wave scattering in which there is a conservation prop-
erty akin to the conservation of probability in quantum mechanics. For exam-
ple, it also holds in the scattering of electromagnetic waves where energy and
power flow are conserved. For a discussion, see, for example, J. D. Jackson’s
text “Classical Electrodynamics”.
6 Interim Remarks
We pause here to make a few remarks concerning the nature of our results
and possible extensions to them:
1. Our discussion has been pretty general, up to assumptions of spherical
symmetry, and of the force falling off rapidly enough with distance.
2. In particular, the results are valid whether the particles are relativis-
tic or non-relativistic. We nowhere made any assumptions concerning
speed, only using general properties of waves and quantum mechanics.
Any “wave equation” suffices, since we only use it in the discussion of
asymptotic states.
3. The discussion also applies to the elastic collision of two particles in
their center-of-mass system. Note that this system has spherical sym-
metry in this frame. Relativity is unimportant here as well (though
we may need it to transform to a different frame of reference). We
may also consider inelastic scattering in the CM frame, as long as we
properly formulate our conservation of energy.
15
4. We may further extend the discussion to the elastic scattering of two
particles with any spins in the CM frame. The essential change is
that the asymptotic wave function for particles of spin s are (2s + 1)-
component momentum space wave functions, and the scattering am-
plitude f (pf , pi ) now becomes also a matrix operator in spin space.
Ref. [2] develops this theory for scattering of the form a + b → c + d.
We have actually already seen the essential aspects in our class dis-
cussions of the consequence of angular momentum conservation on the
description of scattering scattering in the helicity basis.
Note that we have not yet said much about how to determine the phase
shifts δj (p) in a problem of interest – we have only shown that they are
the key ingredients in the scattering problem. Our discussion will now turn
towards this issue.
7 Resonances
Consider the partial wave expansion:
1 X ∞
2j + 1 h 2iδj (p) i
f (p, q) = f (p; cos θ) = e − 1 Pj (cos θ). (89)
2ip j=0 4π
We note that
1 h 2iδj (p) i 1
e −1 = . (90)
2i cot δj − i
This function has a maximum magnitude of one whenever
π
δj = + nπ, n = integer. (91)
2
When this occurs, we are said to have a resonance in the jth partial wave.
Suppose now that the jth channel exhibits a resonance at energy E = E0 .
Then cot δj (E) (written as a function of energy) vanishes at E = E0 . To
describe the scattering in the neighborhood of this resonance, we make an
expansion of cot δj (E) to linear order:
2 h i
cot δj (E) = − (E − E0 ) + O (E − E0 )2 . (92)
Γ
Thus, in the neighborhood of a resonance, the contribution of this channel
16
5
)j 1
_a
tl
e
d
t( 0 0.2 0.4 0.6 0.8 1
o
c -1
-3
-5
delta_j(E)/pi
Figure 3: Graph of cot δj (E), showing linear behavior near π/2, with negative
slope.
17
width at half maximum of the Breit-Wigner distribution. The cross section
decreases from its peak value by 1/2 at E = E0 ± Γ/2.
Note, finally, that the maximum contribution to the cross section in par-
tial wave j is just:
4π
σT j (E)max = σT j (E0 ) = (2j + 1). (99)
p2
This maximum follows from the unitarity bound:
1 h 2iδj i
e − 1 = eiδj sin δj ≤ 1. (100)
2i
18
r
V(r)
where r r
π π
j` (x) = J`+ 1 (x); n` (x) = (−)`+1 J 1 (x) (104)
2x 2 2x −`− 2
are spherical Bessel functions.
Since eikr cos θ does not depend on φ (beam along the z-axis, hence no
z-component of L), only the m = 0 terms contribute. Also, n` (kr) is not
19
regular at r = 0,2 so B`m = 0. Hence,
∞
X
eikr cos θ = A` j` (kr)Pl (cos θ). (107)
`=0
20
Solving for A` = (i)` (2` + 1), and therefore
∞
X
eikr cos θ = (i)` (2` + 1)j` (kr)Pl (cos θ). (115)
`=0
1 X ∞
f (k; θ) = (2` + 1) e2iδ` − 1 P` (cos θ). (116)
2ik `=0
Let us relate this to the scattered wave function. For r < R, we may write:
∞
X
ψ= (i)` (2` + 1)R`(k; r)P` (cos θ), (117)
`=0
21
The asymptotic behavior of the wave function is therefore:
`π
∞
X sin kr − 2 α` 1 eikr
ψ ∼ (2` + 1)i` + P` (cos θ) (122)
`=0 kr 2 (i)`+1 kr
1 X ∞ h i
∼ (2` + 1) eikr (1 + α` ) − (−)` e−ikr P` (cos θ). (123)
2ikr `=0
α` = e2iδ` − 1, (125)
where δ` is real.
Now consider the scattered wave function in the asymptotic limit:
22
Notice that the outgoing part of the wave in Eqn. 127 is
h i 1 X ∞
eikr cos θ ∼ (2` + 1)eikr P` (cos θ), (130)
out 2ikr `=0
while the outgoing part of the actual wave (which includes in addition the
outgoing part of the unscattered wave) is
∞
1 X
ψout ∼kr→∞ (2` + 1)e2iδ` eikr P` (cos θ), (131)
2ikr `=0
where e2iδ` = 1 + α` . Comparing Eqns. 130 and 131, we see that 2δ` is the
difference in phase between the outgoing parts of the actual wave function
and the eikr cos θ plane wave.
It is perhaps useful to make a comment here concering interference among
partial waves. Note that in the differential cross section,
dσ
= |f (k; θ)|2 , (132)
dΩ
the different partial waves can interfere, i.e., in general we cannot distinguish
which partial angular momentum states contribute to the scattering in a
given direction. On the other hand, in the total cross section:
Z ∞
4π X
σT = dΩ|f (k; θ)|2 = (2` + 1) sin2 δ` ; (133)
(4π) k 2 `=0
23
We must have continuity of the wave function and its derivative on the sphere
r = R. Hence,
1 (1)
R` (k, R) = j` (kR) + α` h` (kR) (135)
2
dR` (k, r) 0 1 (1)0
= k j` (kR) + α` h` (kR) . (136)
dr 2
r=R
The factor of k on the right side of Eqn: 136 is because the prime notation
denotes derivatives with respect to the argument of the function, i.e., with
respect to kr.
We divide Eqn. 136 by Eqn. 135, and let x = kR:
h i
(1)0
dR` (k,r)
j`0 (x) + 12 α` h` (x)
dr
=k . (137)
R` (k, r) r=R
(1)
j` (x) + 12 α` h` (x)
With dr = rd log r, we may write this in the form:
h i
(1)0
d log R` (k, r) j`0 (x) + 12 α` h` (x)
L` ≡ =x . (138)
d log r (1)
j` (x) + 12 α` h` (x)
r=R
24
As a technical aside, we see that we really need to make sense of the last
formula above in the case ` > n. Guided by the identity:
πz
z!(−z)! = , (143)
sin πz
we define
(n − `)! (2` − 2n)!
= (−)n−` , if n < `. (144)
(2n − 2`)! (` − n)!
For x 1 (the low energy limit), we keep only the n = 0 term in these
expansions:
`!
j` (x) = 2` x` + O(x`+1) (145)
(2` + 1)!
(−)`+1 (−)−` (2`)!
n` (x) = + O(x−`+1 ). (146)
2` x`+1 `!
Thus,
`!
L` j` (x) − xj`0 (x) = 2` (L` − `)x` + O(x`+2 ) (147)
(2` + 1)!
(1) (1)0
L` h` (x) − xh` = i [L` n` (x) − xn0` (x)] + O(x` ) (148)
(2`)! 1
= −i ` (L` + ` + 1) `+1 + O(x` , x−`+1 ). (149)
2 `! x
Therefore, " #2
2i 2` `! L` − ` 2`+1
α` ≈ − x . (150)
2` + 1 (2`)! L` + ` + 1
Let us use this result to check the convergence of the partial wave ex-
pansion for small x. The coefficient of the P`+1 (cos θ) term divided by the
coefficient of the P` (cos θ) term is:
α` ∝ k2`+1 . (152)
25
That is,
α` = e2iδ` − 1 = 2i sin δ` eiδ` , (153)
or
| sin δ` | ∼ k 2`+1 , as kR → 0. (154)
Using
1 h (1) (2)
i
j` (x) = h` (x) + h` (x) , (155)
2
we may also write:
(2) (2)0
L` h` (x) − xh` (x)
1 + α` = − (1) (1)0
. (156)
L` h` (x) − xh` (x)
We may obtain exact expressions for the two lowest phase shifts with,
(2) (1)∗
h` (x) = h` (x), for real x, (157)
(1) i
h0 (x) = − eix , (158)
x
(1) 1 i
h1 (x) = − eix 1 + . (159)
x x
Hence,
1 + ix/L̂0
1 + α0 = e−2ix (160)
1 − ix/L̂0
1 + ix − x2 /(L̂1 + 1)
1 + α1 = e−2ix , (161)
1 − ix − x2 /(L̂1 + 1)
where x = kR and
d log χ`
L̂` ≡ , (162)
d log r r=R
d log R`
= + 1. (163)
d log r r=R
8.3 Example
Suppose we scatter from the potential (see Fig. 5):
V0 > 0 r < R,
V (r) = (164)
0, r ≥ R.
26
V(r)
V0
r
R
Figure 5: Graph of the example scattering potential.
We wish to determine, for example, the phase shift and partial cross
section for ` = 0 (S-wave) scattering. Since the potential is repulsive, we
should find δ0 < 0. Let
k2 = 2mE (165)
k02 = 2mV0 (166)
q
∆ = k02 − k2 . (167)
27
If E < V0 , then ∆ > 0, and χ000 = ∆2 χ0 , or
or, simply χ0 (r) = sin(kr + δ0 ), absorbing the phase factor into the normal-
iztion. Comparing with Eqn. 172, we find δ = δ0 .
where
1 ∂2 `(` + 1)
[rRn` (r)] + − V (r) Rn` (r) = En Rn` (r)
2mr ∂r2 2mr2
(n may be a continuous index in general), and we have defined χn` (r) ≡ rRn` (r). At least
as long as V (r) is finite as r → 0, Rn` (0) must be finite, hence the boundary condition
χn` (0) = 0.
28
We determine δ0 by matching χ0 and χ00 at r = R. The logarithmic
derivative L0 = Rχ00 (R)/χ0 (R) contains the information about the parameter
of interest, δ0 , and we need never determine A (or A0 ). For E < V0 :
cosh ∆R
L0 = ∆R = ∆R coth ∆R (178)
sinh ∆R
cos(kR + δ0 )
= kR = kR cot(kR + δ0 ). (179)
sin(kR + δ0 )
That is,
L0 = kR cot(kR + δ0 ) = ∆R coth(∆R), E < V0 . (180)
Similarly, for E > V0 :
L0 = kR cot(kR + δ0 ) = ∆0 R cot(∆0 R), E > V0 . (181)
Given V0 and R, we can thus solve these equations for δ0 (E).
Noting our earlier result:
1 + ikR/L0
1 + α0 = e2iδ0 = e−2ikR , (182)
1 − ikR/L0
we have, for E < V0 :
1 + i(k/∆) tanh ∆R
e2iδ0 = e−2ikR , E < V0 . (183)
1 − i(k/∆) tanh ∆R
1+ia
This is of the form e−2ikR 1−ia
= e−2ikR eiθ , where θ = tan−1 [2a/(1 − a2 )].
Therefore, we may write:
1 2 ∆k
tanh ∆R
δ0 = −kR + tan−1 2 , E < V0 , (184)
2 1− k 2
tanh ∆R ∆
1 2 ∆k0
tan ∆ R
0
δ0 = −kR + tan−1 2 , E > V0 . (185)
2 1 − ∆k0 tan2 ∆0 R
Consider the low energy limit, k → 0 (∆ → k0 ), E < V0 :
k
1 2 k0 tanh ∆R
δ0 → −kR + tan−1 2 (186)
2 1− k 2
tanh ∆R k0
!2
k k
= −kR + tanh k0 R + O . (187)
k0 k0
29
Alternatively, we may consider the “hard sphere” limit, k0 → ∞ (i.e., V0 →
∞). This is nearly the same limit, for any fixed energy. To lowest order in
k/k0 ,
δ0 = −kR + O(k/k0 ). (188)
Thus, for the hard sphere the lowest partial wave phase shift depends linearly
on k, as shown in Fig. 6.
δ0
0 kR
Figure 6: The S wave phase shift for the hard sphere potential.
30
!2
tanh k0 R
= 4πR2 1− . (192)
k0 R
In the hard sphere limit (k0 → ∞), this becomes
σ0 = 4πR2 . (193)
In the low energy limit, this partial wave dominates, so this is the total
cross section as well. This result is larger than the result we might expect
purely geometrically, i.e., for the scattering of a well-localized wave packet.
The difference must be attributed to the wave nature of our probe, and the
phenomenon of diffraction.
We note in passing that when writing
!
tanh k0 R
σ0 = 4πa20 , a0 = R 1 − , (194)
k0 R
a0 is referred to as the “scattering length” of the potential.
Now let us consider the case of finite V0 (a “soft sphere”?). For example,
in the high energy limit, k k0 , and ∆0 → k, hence:
1 2 tan kR
δ0 → −kR + tan−1 (195)
2 1 − tan2 kR
= 0. (196)
This should be the expected result in the high energy limit, since the effect
of a finite fixed potential becomes negligible as the energy increases.
Thus, at very low energies and at very high energies, the phase shift
approaches zero. In between, it must reach some maximum (negative) value.
Fig. 7 shows the S wave phase shift for scattering on the soft sphere potential,
and Fig. 8 shows the S wave cross section for scattering on the soft sphere
potential.
31
kR
0
5 10 15 20
-0.5
-1.0
-1.5
-2.0
-2.5
-3.0
δ0
Figure 7: The S wave phase shift for the soft sphere potential, with R = 1,
k0 R = 4.
32
8
7
6
σ0 5
4
3
2
1
0
0 2 4 6 8 10 12 14 16 18 20
kR
Figure 8: The S wave cross section for the soft sphere potential, with R = 1,
k0 R = 4.
e+ik|x−y|
G+ (x, y; k) = − , (202)
4π|x − y|
to obtain the scattered wave:
4
Recall that (∇2x + k 2 )G(x, x0 ; k) = δ (3) (x − x0 ).
33
Since
eikr
ψS (x) = f (k; θ) , (205)
r
where θ is the polar angle to the observation point, hence equal to the po-
lar angle of the scattered k-vector, we can extract the scattering amplitude
f (k; θ) by considering the asymptotic situation, where the source “size” (non-
negligible region of U (x)) is small:
34
With ψ0 (x) = eik·x , and
or Z
1 0 0
f (k; Ω0 ) ≈ − d3 (x0 )ei(k−k )·x U (x0 ), (217)
4π (∞)
where Ω0 is the direction of the scattered wave, i.e., the direction of k0 . This
result is known as the Born approximation.
With this result, we have the differential cross section:
dσ 2
= |f (k; Ω0 )| (218)
dΩ0
Z 2
1 3 0 i(k−k0 )·x0 0
= d (x )e U (x ) (219)
16π 2 (∞)
2 2
m 0
= 2
V̂ (k − k) , (220)
4π
where we have used U (x) = 2mV (x), and V̂ is the Fourier transform of V .
Recall that we already derived this result in our discussion of time-dependent
perturbation theory (Approximate Methods course note).
If U (x) = U (r) only, i.e., we have a spherically symmetric scattering
potential, we may incorporate this into our result. Let θ be the “scattering
angle”, i.e., the angle between k and k0 . Then, noting that |k| = |k0 | = k,
we have |k − k0 | = 2k sin θ2 . Since U (x) = U (r), f (k; Ω0 ) = f (k, θ) only, and
Z ∞ Z
1 02 0 0 θ 0 cos θ0
f (k; θ) = − r dr U (r ) d cos θ0 dφ0 ei2k(sin 2 )r , (221)
4π 0 4π
35
where θ 0 is the angle between x0 and k − k0 . Now let K = |k − k0 | = 2k sin 2θ .
We can do the integrals over angles, to obtain:
Z ∞
sin Kr 0
f (k; θ) = − r02 dr0 U (r 0 )
. (222)
0 Kr 0
This is the Born approximation for a spherically symmetric potential.
36
where θkx is the angle between k and x, and we have used the identity
s
4π
P` (cos θ) = Y`0 (θ, φ). (231)
2` + 1
We may re-express this in terms of the polar angles (θx , φx ) of x and (θk , φk )
of k using the addition theorem for spherical harmonics:
q X̀
∗
4π(2` + 1)Y`0 (θkx , φkx ) = Y`m (θk , φk )Y`m (θx , φx ), (232)
m=−`
where
cos θkx = cos θk cos θx + sin θk sin θx cos(φk − φx ). (233)
Thus,
∞
X X̀
eik·x = 4π i` j` (kr) ∗
Y`m (θk , φk )Y`m (θx , φx ), (234)
`=0 m=−`
and hence,
∞ Z ∞
1 X `
f (k; θ) = − i (2` + 1) r02 dr0 R` (r 0 ) (235)
4π `=0 0
∞
X 0
4π i` j`∗0 (k 0 r0 )U (r 0 ) (236)
`0 =0
Z 1 Z 2π X̀
0
d cos θ dφ0 Y`0 m (θ, φk0 )Y`∗0 m (θ 0 , φ0 )P`(cos θ0 ).(237)
−1 0 m=−`
37
• The integral over cos θ0 may then be accomplished with:
Z 1
2
dxP` (x)P`0 (x) = δ``0 . (240)
−1 2` + 1
1 X ∞
f (k; θ) = (2` + 1) e2iδ` − 1 P` (cos θ), (243)
2ik `=0
we obtain:
Z ∞
1 2iδ`
e − 1 = eiδ` sin δ` = −k r2 drR` (r)j` (kr)U (r). (244)
2i 0
38
9.2 Born Approximation and Example of the “Soft
Sphere” Potential
As an example, let us return to our earlier example of the “soft sphere”:
V0 , r < R,
V (r) = (247)
0, r > R.
sin x
For instance, consider δ0 , with j0 (x) = x
:
!2 Z
k0 kR
δ0 ≈ − sin2 xdx (250)
k 0
!2
k0 1
= − (2kR − sin 2kR). (251)
k 4
Other than the linear dependence, they are not very similar. Fig. 9 illustrates
this. At low kR, the agreement with the exact calculation is poor, as the
energy increases, the agreement improves.
39
kR
2 4 6 8 10 12 14 16 18 20
0
-1
-2
δ0
-3
-4
-5
-6
Figure 9: The S wave phase shift for the soft sphere potential, with R = 1,
k0 R = 4. The curve which goes further negative is the Born approximation;
the other curve is the exact result.
10 Angular Distributions
If the laws of physics are rotationally invariant, we have angular momentum
conservation. As a consequence, the angular distribution of particles in a
scattering process is constrained. Here, we consider how this may be applied
in the case of a scattering reaction of the form:
a + b → c + d. (254)
These particles may carry spins – let ja denote the spin of particle a, etc.
It is convenient to work in the center-of-mass frame, and to pick particle
a to be incoming along the z axis. If a different frame is desired, then it
may be reached from the center-of-mass frame with a Gallilean or Lorentz
transformation, whichever is appropriate.
It is furthermore convenient to work in a helicity basis for the angular
momentum states. Along the helicity axis, the component of orbital angular
momentum of a particle is zero. We’ll typically label the helicity of a particle
with the symbol λ. For example, the helicity of particle a is denoted λa .
40
Let us also work with a plane wave basis for our particles. Physical
states may be constructed as a superposition of such states. We’ll omit the
magnitude of momentum in our labelling, and concentrate on the angles
(polar angles denoted by θ, and azimuth angles denoted by φ). We’ll also
omit the spins of the scattering particles in the labels, to keep things compact.
Thus, we label the initial state according to:
This gives the scattering cross section for the specified helicity states.
If we do not measure the final helicities, then we must sum over all possible
λc and λd . Similarly, if the initial beams (a and b) are unpolarized, we must
average over all possible λa and λb . Thus, to get the scattering cross section
in such a case, we must evaluate
1 X 1 XXX
|hθ, φ, λc, λd |T |0, φa , λa , λb i|2 . (259)
2ja + 1 λa 2jb + 1 λb λc λd
If a(or b) is massless and not spinless, then the 1/(2ja + 1) factor must be
replaced by 1/2.
The scattering process may go via intermediate states of definite angular
momentum, for example, scattering through an intermediate resonance. For
example. in e+ e− scattering just below µ+ µ− threshold, we may expect
a resonance due to the presence of “muonium” bound states. Such states
have definite angular momenta. In particular, the resonance for scattering
through the lowest 3 S1 bound state of muonium might be expected to be a
large contribution in the scattering amplitude. Thus, we are led to describing
41
the transition amplitude most naturally in a basis which specifies the total
angular momentum state. We may label a basis state as:
|j, m, λa , λb i, or |j, m, λc , λd i, (260)
where j specifies the total angular momentum, and m is its component along
a chosen quantization axis. This basis is sometimes called the “spherical
helicity basis”.
For a given pair of initial and final helicity states, we are thus interested
in computing matrix elements of the form:
X X
hf |T |ii ∝ hθc , φc, λc, λd |j, m, λc, λd ihj, m, λc , λd |T |j 0 , m0 , λa , λb ihj 0 , m0 , λa , λb |0, φa , λa , λb i.
j,m j 0 ,m0
(261)
The terms of the form hθ, φ, λ1 , λ2 |j, m, λ01 , λ02 i
are just scalar products of
vectors expressed in different bases. We thus need to learn how to do the
basis transformation.
We may write the basis transformation in the form:
X
|θ, φ, λ1 , λ2 i = |j, m, λ01 , λ02 ihj, m, λ01 , λ02 |θ, φ, λ1 , λ2 i (262)
j,m,λ01 ,λ02
X
= |j, m, λ1 , λ2 ihj, m, λ1 , λ2 |θ, φ, λ1 , λ2 i, (263)
j,m
where we have used the fact that states with different helicities are orthogo-
nal:
hj, m, λ01 , λ02 |θ, φ, λ1 , λ2 i ∝ δλ01 λ1 δλ02 λ2 . (264)
Consider now the state
X
|θ = 0, φ, λ1 , λ2 i = |j, m, λ1 , λ2 ihj, m, λ1 , λ2 |θ = 0, φ, λ1 , λ2 i. (265)
j,m
For this state, the helicity axis is parallel(or antiparallel) to the quantization
axis for the third component of angular momentum, and hence λ1 = m1 ,
λ2 = −m2 . Thus, m = λ1 − λ2 ≡ α. The coefficient
hj, m, λ01 , λ02 |θ, φ, λ1 , λ2 i = cj δmα , (266)
where cj is a constant depending only on j, to be determined (see exercises).
The expansion of this state in the spherical helicity basis is thus:
X
|θ = 0, φ, λ1 , λ2 i = cj |j, α, λ1 , λ2 i. (267)
j,m
42
Let us now perform a rotation on our special state to an arbitrary state:
|θ, φ, λ1 , λ2 i = R3 (φ)R2 (θ)R3 (−φ)|θ = 0, φ, λ1 , λ2 i. (268)
This product of rotations on a state of angular momentum j is given by the
Euler angle parameterization of the Dj rotation matirces:
R3 (φ)R2 (θ)R3 (−φ) = Dj (φ, θ, −φ). (269)
The matrix elements for rotation u are:
j
Dm 1 m2
(u) = hj, m1 |D j (u)|j, m2 i. (270)
Hence,
X
Dj (u)|j, α, λ1 , λ2 i = |j, m, λ1 , λ2 ihj, m, λ1 , λ2 |D j (u)|j, α, λ1 , λ2 i, (271)
m
and X
j
ketθ, φ, λ1 , λ2 = |j, m, λ1 , λ2 iDmα (φ, θ, −φ). (272)
j,m
q
If we anticipate the result of the exercises for cj , namely cj = 2j + 1/4π,
we have the desired result:
s
2j + 1 j∗
hθ, φ, λ1 , λ2 |j, m, λ01 , λ02 i = Dmα (φ, θ, −φ)δλ01 λ1 δλ02 λ2 , (273)
4π
where α ≡ λ1 − λ2 . Putting this into our expression for the transition
amplitude, we obtain (defining αf ≡ λc − λd and αi ≡ λa − λb ):
s s
X X 2j 0 + 1 j∗
2j + 1 j0 0 0
hf |T |ii ∝ Dmαf (φ, θ, −φ)Dm 0 α (φa , 0, −φa )hj, m, λc , λd |T |j , m , λa , λb i.
0
j,m j ,m 0 4π4π i
(274)
Suppose the interaction is one which conserves angular momentum. In
this case,
hj, m, λc, λd |T |j 0 , m0 , λa , λb i = δjj 0 δmm0 hj, m, λc , λd |T |j, m, λa , λb i, (275)
and further m = λa −λb ≡ αi . Thus, the non-zero transition matrix elements
are numbers of the form Tλja λb λc λd , which may be called “helicity amplitudes”.
We have:
X 2j + 1 j
hf |T |ii ∝ Tλa λb λc λd Dαj∗i αf (φ, θ, −φ)Dαj i αi (φa , 0, −φa ). (276)
j 4π
43
The “big-D” functions give us the angular distribution for each intermediate
j value and helicity state. Using
j
Dm 1 m2
(φ, θ, −φ) = e−i(m1 −m2 )φ djm1 m2 (θ), (277)
Note that the azimuth dependence is a phase, depending only on the helici-
ties.
Squaring, we obtain the scattering angular distribution:
2
dσλa λb λc λd X j
(θ, φ) ∝ (2j + 1)Tλa λb λc λd dαi αf (θ) ,
j
(279)
dΩ j
where αf ≡ λc − λd and αi ≡ λa − λb .
11 Exercises
1. Show that the total cross section we computed in the partial wave
expansion,
∞
4π X
σT (p) = 2 (2j + 1) sin2 δj (p), (280)
p j=0
is in agreement with the optical theorem.
2. We have discussed the “central force problem”. Consider a particle of
mass m under the influence of the following potential:
V0 , 0 ≤ r ≤ a
V (r) = (281)
0, a < r,
where V0 is a constant.
(a) Write down the Schrödinger equation for the wave function ψ(xx).
Consider solutions which are simultaneous eigenvectors of H, L2 ,
and Lz . Solve the angular dependence, and reduce the remaining
problem to a problem in one variable. [You’ve done this already
first quarter, so you may simply retrieve that result here.]
44
(b) Let E be the eigenvalue of the Hamiltonian, H. Consider the case
where E > V0 . Solve the Schrödinger equation for eigenstates
ψ(xx). It will probably be convenient to use the quantity k =
q
2m(E − V0 ). Consider the limit as r → ∞ for your solutions,
and give an interpretation in terms of spherical waves.
E < V0 . It will probably be
(c) Repeat the solution for the case whereq
convenient to use the quantity K = 2m(V0 − E). Again, con-
sider the limit as r → ∞ and give an interpretation, contrasting
with the previous case.
ψ(−L/2) = ψ(L/2),
This formula assumed that the beam particles were distributed uni-
formly in a disk of radius R centered at the origin in the ê1 − ê2 plane,
45
and that the distribution of the shape parameter was uncorrelated with
position in this disk.
(a) Try to obtain an expression for σeff (u) without making these as-
sumptions.
(b) Using part (a), write down an expression for σeff (u) appropriate
to the case where the beam particles are distributed according to
a Gaussian of standard deviation ρ in radial distance from the
origin (in the ê2 − ê3 plane), and where the wave packets are also
drawn from a Gaussian distribution in the expectation value of
the magnitude of the momentum. Let the standard deviation of
this momentum distribution be α = α(x), for beam position x.
(c) For your generalized result of part (a), try to repeat our limiting
case argument to obtain the “fundamental” cross section. Discuss.
(a) How does the S matrix transform under parity, i.e., what is P −1 SP ,
where P is the parity operator?
(b) What is the condition on the helicity amplitudes Ajλµ (pi ) (corre-
sponding to scattering with total angular momentum j) imposed
by parity conservation?
(c) What condition is imposed on the orbital angular momentum am-
j
plitudes B``0 (pi )? You may use “physical intuition” if you like,
(a) Ignoring spin, estimate σ0T , first in terms of λ0 /2π, and then
numerically in cm2 . Compare your answer with a typical atomic
size.
46
(b) Suppose that we have a sodium lamp source with a line width
governed by the mean life of the excited 2 P1/2 state (maybe not
easy to get this piece of equipment!). The mean life of this state
is about 10−8 second. Suppose that this light is incident on an ab-
sorption cell, containing sodium vapor and an inert (non-resonant)
buffer gas. Let the temperature of the gas in the absorption cell
be 200◦ C. Obtain an expression for the effective total cross sec-
tion, σeffT which an atom in the cell presents to the incident light.
Again, make a numerical calculation in cm2 .
(c) Using your result above, find the number density of Na atoms (#
of atoms/cm3 ) which is required in the cell in order that intensity
of the incident light is reduced by a factor of two in a distance
of 1 cm. It should be noted (and your answer should be plausible
here) that such a gas will be essentially completely transparent to
light of other (non-resonant) wavelengths.
(a) For a hard sphere potential, calculate the total cross section in
partial wave `. Give the exact result, i.e., don’t take the high
energy limit yet. You may quote your answer in terms of the
spherical Bessel functions.
(b) Find a simple expression for the phase shift δ` in the high energy
limit (kR `). Keep terms up to O(1) in your result.
(c) Determine the total cross section (including all partial waves) in
the high energy limit, kR → ∞. [This is the only somewhat tricky
part of this problem to calculate. One approach is as follows:
Write down the total cross section in terms of your results for part
(a). Then, for fixed k, consider which values of ` may be important
in the sum. Neglect the other values of `, and make the high energy
47
approximation to your part (a) result. Finally, evaluate the sum,
either directly, or by turning it into an appropriate integral.]
Phase
Shift
(degrees)
160
δ1
120
80
40
δ0
0
0 50 100 150 200
Tπ (MeV)
Figure 10: Made-up graph of phase shifts δ0 and δ1 for elastic π + p scattering
(neglecting spin).
Assume that the other phase shifts are negligible (e.g., “low energy”
is reasonably accurate). The pion mass and energy here are suffi-
ciently small that we can at least entertain the approximation of an
infinitely heavy proton at rest – we’ll assume this to be the case,
in any event.
q Note that Tπ is the relativistic kinetic energy of the
+
π : Tπ = Pπ + m2π − mπ .
2
48
(c) Plot the angular distribution of the scattered π + at energies of
120, 140 and 160 MeV.
(d) What is the mean free path of 140 MeV pions in a liquid hydrogen
target, with these “protons”?
(a) Find expressions, in terms of A(`) (k), for the following total cross
sections, for an incident particle α: (integrated over angles)
el
i. σαTOT , the total elastic cross section
inel
ii. σαTOT , the total inelastic cross section (sometimes called the
“reaction” cross section).
iii. σαTOT , the total cross section.
(b) Try to give the generalization of the optical theorem for this scat-
tering of particles in a multiplet.
49
10. In the previous problem you considered the scattering of particles in a
multiplet. You determined the total elastic (sometimes called “scatter-
ing”) cross section and the total inelastic (“reaction”) cross sections in
(`)
terms of the Aαβ matrix in the partial wave expansion. Consider now
the graph in Fig. 11.
4
el(l) Not
k2 σ
α TOT Allowed
π (2l+1)
Allowed
0
0 1
k 2 σ inel(l)
α TOT
π (2l+1)
Figure 11: The allowed and forbidden regions for possible elastic and inelastic
cross sections for the scattering of particles in a multiplet.
This graph purports to show the allowed and forbidden regions for the
total elastic and inelastic cross sections in a given partial wave `. Derive
the formula for the allowed region of this graph. Make sure to check
the extreme points.
50
11. In the angular distribution section, we discussed the transformation
between two different types of “helicity bases”. In particular, we con-
sidered a system of two particles, with spins j1 and j2 , in their CM
frame.
One basis is the “spherical helicity basis”, with vectors of the form:
|j, m, λ1 , λ2 i, (282)
where j is the total angular momentum, m is the total angular mo-
mentum projection along the 3-axis, and λ1 , λ2 are the helicities of the
two particles. We assumed a normalization of these basis vectors such
that:
hj 0 , m0 , λ01 , λ02 |j, m, λ1 , λ2 i = δjj 0 δmm0 δλ1 λ01 δλ2 λ02 . (283)
The other basis is the “plane-wave helicity basis”, with vectors of the
form:
|θ, φ, λ1 , λ2 i, (284)
where θ and φ are the spherical polar angles of the direction of particle
one. We did not specify a normalization for these basis vectors, but an
obvious (and conventional) choice is:
hθ 0 , φ0 , λ01 , λ02 |θ, φ, λ1 , λ2 i = δ (2) (Ω0 − Ω)δλ1 λ01 δλ2 λ02 , (285)
where d(2) Ω refers to the element of solid angle for particle one.
In the section on angular distributions, we obtained the result for the
transformation between these bases in the form:
X
j
|θ, φ, λ1 , λ2 i = cj |j, m, λ1 , λ2 iDmα (φ, θ, −φ), (286)
j,m
References
[1] Eyvind H. Wichmann, “Scattering of Wave Packets”, American Journal
of Physics, 33 (1965) 20-31.
[2] M. Jacob and G. C. Wick, “On the General Theory of Collisions for
Particles with Spin”, Annals of Physics, 7 (1959) 404.
51
Physics 125
Course Notes
Scattering
Solutions to Problems
040416 F. Porter
1 Exercises
1. Show that the total cross section we computed in the partial wave
expansion,
∞
4π X
σT (p) = 2 (2j + 1) sin2 δj (p), (1)
p j=0
is in agreement with the optical theorem.
Solution: Starting with the optical theorem,
4π
σT (p) = =f (p; 1) (2)
p
4π 1 X ∞ h i
= = (2j + 1) e2iδj (p) − 1 Pj (1) (3)
p 2ip j=0
∞ h i
4π X 1 2iδj (p)
= (2j + 1) − < e − 1 (4)
p2 j=0 2
∞
4π X
= (2j + 1) [cos 2δj (p) − 1] (5)
p2 j=0
∞
4π X
= (2j + 1) sin2 δj (p). (6)
p2 j=0
(a) Write down the Schrödinger equation for the wave function ψ(xx).
Consider solutions which are simultaneous eigenvectors of H, L2 ,
and Lz . Solve the angular dependence, and reduce the remaining
1
problem to a problem in one variable. [You’ve done this already
first quarter, so you may simply retrieve that result here.]
Solution: The Schrödinger equation is
1 2
− ∇ + V (r) ψ(x) = Eψ(x). (8)
2m
The wave function for a state of definite L2 = `(`+1), and Lz = M
is Rε` (r)Y`M (θ, φ. The radial wave equation is:
" #
`(` + 1)
χ00` + k 2 − − k02 χ` = 0, r < a, (9)
r2
" #
00 2 `(` + 1)
χ` + k − χ` = 0, r > a, (10)
r2
where χ` = rR` (suppressing the radial index ε), k 2 = 2mE, and
k02 = 2mV0 .
(b) Let E be the eigenvalue of the Hamiltonian, H. Consider the case
where E > V0 . Solve the Schrödinger equation for eigenstates
ψ(xx). It will probably be convenient to use the quantity κ =
q
2m(E − V0 ). Consider the limit as r → ∞ for your solutions,
and give an interpretation in terms of spherical waves.
q
Solution: Let’s use K = 2m(V0 − E), and do parts (b) and (c)
together (hence K = iκ in part (b)). For r < a we need a solution
for the wave function which is finite at r = 0, and for r > a we
need something finite at r = ∞:
∞
(
X A` j` (iKr), r < a,
`
ψ(x) = i (2`+1)P`(cos θ) α (1) (11)
`=0
j` (kr) + 2 h (kr), r > a.
2
and
L` j` (ka) − kaj`0 (ka)
α` = −2 (1) (1)0
, (15)
L` h` (ka) − kah` (ka)
where
j`0 (iKa)
L` = iKa . (16)
j` (iKa)
Asymptotically,
sin(x − `π/2)
j` (x) ∼x→∞ , (17)
x
(1) 1 eix
h` (x) ∼x→∞ . (18)
i`+1 x
See the discussion in section 9 for further interpretation.
(c) Repeat the solution for the case whereq
E < V0 . It will probably be
convenient to use the quantity K = 2m(V0 − E). Again, con-
sider the limit as r → ∞ and give an interpretation, contrasting
with the previous case.
Solution: See part (b).
3
is required for acceptable wave functions. “Acceptable” here means
that the probability to find a particle in the box must be constant.
Solution: The Schrödinger equation for a free particle is
1 2
−i∂t ψ(x, t) = −∂ ψ(x, t). (21)
2m x
We suppose that an “acceptable” wave function is one which has a
constant probability to be in the “box” (−L/2, L/2):
d Z L/2
|ψ(x, t)|2 dx = 0. (22)
dt −L/2
It is readily verified that the function
2π 2 2π
φ(x, t) = ei mL2 t sin x (23)
L
has the desired property.
If we admit φ(x, t) as an acceptable solution, and if ψ(x, t) is any other
acceptable solution, then φ + ψ must be acceptable, since any linear
combination of acceptable solutions must be acceptable. Hence, we
must have:
d Z L/2
|ψ(x, t)|2 dx = 0; (24)
dt −L/2
d Z L/2
|φ(x, t)|2 dx = 0; (25)
dt −L/2
d Z L/2
|ψ(x, t) + φ(x, t)|2 dx = 0. (26)
dt −L/2
Then we may write (assuming Eqns 24 and 25):
d Z L/2
0 = [ψ(x, t)φ∗ (x, t) + ψ ∗ (x, t)φ(x, t)] dx (27)
dt −L/2
Z L/2
= ∂t [ψ(x, t)φ∗ (x, t) + ψ ∗ (x, t)φ(x, t)] dx (28)
−L/2
i Z L/2 h 2 ∗ i
= ∂x ψ φ − ψ ∂x2 φ + ψ ∗ ∂x2 φ − ∂x2 ψ ∗ φ dx(29)
2m −L/2
Z L/2
= ∂x [(∂x ψ) φ∗ − ψ (∂x φ) + ψ ∗ (∂x φ) − (∂x ψ ∗ ) φ] dx (30)
−L/2
L/2
= [(∂x ψ) φ∗ − ψ (∂x φ) + ψ ∗ (∂x φ) − (∂x ψ ∗ ) φ]−L/2 . (31)
4
But φ(±L/2, t) = 0, so
L/2
0 = [−ψ(∂x φ∗ ) + ψ ∗ (∂x φ)]−L/2 . (32)
Further, since
2π i 2π22 t
∂x φ(±L/2, t) = − e mL , (33)
L
we obtain
2π 2 2π 2 2π 2 2π 2
0 = ψ(L/2, t)e−i mL2 t −ψ(−L/2, t)e−i mL2 t +ψ ∗ (L/2, t)ei mL2 t −ψ ∗ (−L/2, t)ei mL2 t .
(34)
iθ
This must be true for all times; also if ψ is acceptable, then e ψ must
be acceptable, for real θ. Hence, ψ is acceptable if and only if Eqn. 24
holds, and:
ψ(L/2, t) = ψ(−L/2, t). (35)
2π 2
We note that the function ei mL2 t cos 2π
L
x satisfies these criteria. Thus,
we could also have picked
2π 2 2π
φ(x, t) = ei mL2 t cos x (36)
L
as an acceptable solution. Then the same argument reveals that any
other acceptable solution ψ must satisfy the boundary condition:
∂x ψ(L/2, t) = ∂x ψ(−L/2, t). (37)
2 2π 2 2 2
in t n 2π
We finally remark that the set of functions e mL2 sin 2πn
L
x, ei mL2 t cos 2πn
L
x; n = 0, 1, . . .
is a complete set of functions with the required boundary conditions.
4. In our discussion of scattering theory, we supposed we had a beam of
particles from some ensemble of wave packets, and obtained an “effec-
tive” (observed) differential cross-section:
Z Z
σeff (u) = f (α)dα d2 (x)P (µ; ∝; x)
{α} |x|≤R
This formula assumed that the beam particles were distributed uni-
formly in a disk of radius R centered at the origin in the ê1 − ê2 plane,
and that the distribution of the shape parameter was uncorrelated with
position in this disk.
5
(a) Try to obtain an expression for σeff (u) without making these as-
sumptions.
Solution: We start with Eqn. 33 from the note:
Z Z
P (u; α; x) = d3 (q) d3 (q0 )q 2 δ(q − q 0 ) (38)
(∞) (∞)
0
T (qu, q)T ∗ (q 0 u, q0 )φ0 (q; α)φ∗0 (q0 ; α)e−ix·(q−q(39)
)
,
(b) Using part (a), write down an expression for σeff (u) appropriate
to the case where the beam particles are distributed according to
a Gaussian of standard deviation ρ in radial distance from the
origin (in the ê2 − ê3 plane), and where the wave packets are also
drawn from a Gaussian distribution in the expectation value of
the magnitude of the momentum. Let the standard deviation of
this momentum distribution be α = α(x), for beam position x.
6
Solution: We have a beam distribution:
1 −r2 /2ρ2 1 2 2
f (p, x) = 2
e √ e−(p−p0 ) /2α (x) . (44)
2πρ 2πα(x)
The effective area is:
a
Aeff = lim √
a→0 R a/π R 2π R∞ 1
rdr dφ dp 2πρ −r 2 /2ρ2 √ 1 e−(p−p0 )2 /2α2 (x)
0 0 −∞ 2e
2πα(x)
a
= lim √
a→0 R a/π 1
rdr2π 2πρ −r 2 /2ρ2
0 2e
2a
= lim √
a→0 R a/π
0 dr2 ρ12 e−r2 /2ρ2
2a
= lim R a/π
a→0 dr2 ρ12 e−r2 /2ρ2
0
a
= lim 2 2
a→0 1 − e−a /2πρ
= 2πρ2 . (45)
Thus,
Z Z
dσeff (u) 2
= 2πρ d (x) dpf (p, x)P (u; p; x)d2(x).
2
(46)
dω (∞))
(c) For your generalized result of part (a), try to repeat our limiting
case argument to obtain the “fundamental” cross section. Discuss.
Solution: The limiting case corresponds to the beam being spread
out over a size large compared with the target, and with a sharply
defined momentum. The same arguments as in the note will hence
apply.
(a) How does the S matrix transform under parity, i.e., what is P −1 SP ,
where P is the parity operator?
7
Solution: If the interaction is invariant under reflection, then
P −1 SP = S. (47)
(b) What is the condition on the helicity amplitudes Ajλµ (pi ) (corre-
sponding to scattering with total angular momentum j) imposed
by parity conservation?
Solution: Under parity, the helicity λ reverses sign to −λ. Hence,
Under parity,
Ajλµ (pi ) → Aj−λ−µ (pi ) (50)
Thus, parity conservation requires
8
6. We consider the resonant scattering of light by an atom. In particular,
let us consider sodium, with 2 P1/2 ↔2 S1/2 resonance at λ = λ0 =
5986Å. Let σ0T be the total cross section at resonance, for a mono-
chromatic light source (i.e., σ0T is the “fundamental” cross section).
(a) Ignoring spin, estimate σ0T , first in terms of λ0 /2π, and then
numerically in cm2 . Compare your answer with a typical atomic
size.
Solution: The wavelength and photon momentum are related by
λ = 2π/p, or λ̄ = λ/2π = 1/p. The total cross section on a
resonance in partial wave ` is:
4π Γ2 /4
σ`T (E) = (2` + 1) . (56)
p2 (E − E0 )2 + Γ2 /4
9
The sodium atoms will move thermally according to a Maxwell-
Boltzmann distribution:
10
In the low energy limit, we might only look at S-wave ` = 0 scatter-
ing. However, in the high energy limit, we expect scattering in other
partial waves to become significant. For simplicity, let us here consider
scattering on a hard sphere, V0 → ∞.
(a) For a hard sphere potential, calculate the total cross section in
partial wave `. Give the exact result, i.e., don’t take the high
energy limit yet. You may quote your answer in terms of the
spherical Bessel functions.
Solution: The total cross section is
∞
X
σT = σl , (67)
`=0
11
The total cross section in partial wave ` is
4π
σ` = 2
(2` + 1) sin2 δ` (72)
k
4π e2iδ` − 1 2
= (2` + 1) (73)
k 2 2i
4π
= 2
(2` + 1)|α`/2|2 (74)
k
4π j (kR) 2
`
= (2` + 1) (1) (75)
k 2 h` (kR)
4π [j` (kR)]2
= (2` + 1) , (76)
k2 [j` (kR)]2 + [n` (kR)]2
(1)
where, in the final step we have used h` (x) = j` (x) + in` (x).
(b) Find a simple expression for the phase shift δ` in the high energy
limit (kR `). Keep terms up to O(1) in your result.
Solution: At high energies, letting x = kR:
j` (kR)
α` (k) = e2iδ` − 1 = −2 (1)
(77)
h` (kR)
π π −i(x−` π2 − π2 )
≈ −2 cos x − ` − e (78)
2 2
π π
= e−2i(x−` 2 − 2 ) − 1. (79)
Thus, for kR `,
π π
δ` = −kR + ` + . (80)
2 2
(c) Determine the total cross section (including all partial waves) in
the high energy limit, kR → ∞. [This is the only somewhat tricky
part of this problem to calculate. One approach is as follows:
Write down the total cross section in terms of your results for part
(a). Then, for fixed k, consider which values of ` may be important
in the sum. Neglect the other values of `, and make the high energy
approximation to your part (a) result. Finally, evaluate the sum,
either directly, or by turning it into an appropriate integral.]
12
Solution: We must evaluate:
2 1 X ∞
[j` (x)]2
σT = 4πR lim (2` + 1) . (81)
x=kR→∞ x2
`=0 [j` (x)]2 + [n` (x)]2
We make use of the following facts:
r
π
j` (x) = J 1 (x) (82)
r
2x `+ 2
π
n` (x) = Y 1 (x) (83)
r
2x `+ 2
(1) π (1)
h` (x) = H 1 (x) (84)
s
2x `+ 2
2 π π
Jν (x) ∼ cos(x − ν − ) (85)
πx 2 4
s
2 i(x−ν π − π )
Hν(1) (x) ∼ e 2 4 . (86)
πx
Thus, with ν = ` + 1/2,
j (x) 2 cos(x − ` π − π ) 2
` 2 2
(1) ∼ π π (87)
h (x) ei(x−` 2 − 2 )
`
π π
∼ cos2 (x − ` − ) (88)
2 2
2 π
∼ sin (x − ` ), for x `. (89)
2
We further note that, for fixed x, j` (x) approaches zero for large
`, and h` (x) approaches infinity for large `. Let us argue that
we may cut off the sum at ` = kR on physical grounds: At high
energy, 1/k R. Now ` ∼ kr, since ` is the orbital angular mo-
mentum quantum number. If ` > kR, then r > R, and the short
wavelength beam misses the target, hence there is no contribution
to the scattering cross section. Thus, in the high energy limit, for
scattering on a hard sphere:
x
1 X π
σT = 4πR2 lim 2
(2` + 1)sin2 (x − ` ). (90)
x=kR→∞ x 2
`=0
Now (
2 π sin2 x, ` even,
sin (x − ` ) = (91)
2 cos2 x, ` odd.
13
We evaluate the sum in this limit:
x
1 X 2 π
(2` + 1)sin (x − ` ) = sin2 x + cos2 x + 2 sin2 x + 2 cos2 x
x2 `=0 2
+3 sin2 x + 3 cos2 x + . . . (92)
Xx
1
= ` = x(x + 1). (93)
`=0 2
Hence, !
kR
4π X 4π k 2 R2
σT ∼ 2 `= 2 = 2πR2 . (94)
k `=0 k 2
8. Consider the graph in Fig. 1.
Phase
Shift
(degrees)
160
δ1
120
80
40
δ0
0
0 50 100 150 200
Tπ (MeV)
Assume that the other phase shifts are negligible (e.g., “low energy”
is reasonably accurate). The pion mass and energy here are suffi-
ciently small that we can at least entertain the approximation of an
14
infinitely heavy proton at rest – we’ll assume this to be the case,
in any event.
q Note that Tπ is the relativistic kinetic energy of the
+
π : Tπ = Pπ2 + m2π − mπ .
dσ 1 X ∞ h i
= | (2j + 1) e2iδj (k) − 1 Pj (cos θ)|2 (99)
dΩ 2ik j=0
1 2iδ0 (k)
= |e − 1 + 3(e2iδj (k) − 1) cos θ|2 (100)
4k2
1 n 2 2
o
= [cos δ0 − 1 + 3(cos δ 1 − 1) cos θ] + [sin δ0 + 3 sin δ1 cos θ] .
4k2
The result is shown in Fig. 3.
15
300
250
(mb)
200
150
σT
100
50
0
0 50 100 150 200 250
Tπ (MeV)
(d) What is the mean free path of 140 MeV pions in a liquid hydrogen
target, with these “protons”?
Solution: The cross section for 140 MeV pions is ∼ 260 mb. The
density of liquid hydrogen is 0.0708 g/cm3 . The number density
is ρ == 4.2 × 102 8 m−3 . The mean free path is thus
1
λ= = 0.9 m. (101)
σT ρ
9. We now start to consider the possibility of “inelastic scatting”. For
example, let us suppose there is a “multiplet” of N non-identical parti-
cles, all of mass m. We consider scattering on a spherically symmetric
center-of-force, with the properly that the interaction can change a
particle from one number of the multiplet to another member. We
may in this case express the scattering amplitude by fαβ (k; cos θ), with
α, β = 1, . . . , N, corresponding to a unitary S-matrix on Hilbert space
L2 (R3 ) ⊗ VN :
i
Sαβ (kf ; ki ) = δαβ δ (3) (kf − ki ) + δ(kf − ki )fαβ (kf ; ki )
2πki
16
60
120
140
50 160
dcos θ
dσ
40
30
20
10
0
-1 -0.8 -0.6 -0.4 -0.2 0 0.2 0.4 0.6 0.8 1
cos θ
(a) Find expressions, in terms of A(`) (k), for the following total cross
sections, for an incident particle α: (integrated over angles)
17
el
i. σαTOT , the total elastic cross section
Solution: We’ll use
Z 1
2
dxP` (x)P`0 (x) = δ``0 . (102)
−1 2` + 1
Z 1
el
σαTOT = 2π d cos θ|fαα (k; cos θ)|2 (103)
−1
Z
π X 2
1
= 2
(2` + 1) dx|P`(x)|2 |A(`) 2
αα − 1| (104)
2k ` −1
π X
= 2 (2` + 1)|A(`) 2
αα − 1| . (105)
k `
inel
ii. σαTOT , the total inelastic cross section (sometimes called the
“reaction” cross section).
Solution:
XZ 1
inel
σαTOT = 2π d cos θ|fβα (k; cos θ)|2 (106)
β6=α −1
π XX (`)
= (2` + 1)|Aβα |2 . (107)
k 2 β6=α `
(b) Try to give the generalization of the optical theorem for this scat-
tering of particles in a multiplet.
Solution: Start with the unitarity os the S matrix:
XZ †
d3 (q)Sαβ (p0 , q)Sγβ (q, p00 ) = δαγ δ (3) (p0 − p00 ). (110)
β (∞)
18
10. In the previous problem you considered the scattering of particles in a
multiplet. You determined the total elastic (sometimes called “scatter-
ing”) cross section and the total inelastic (“reaction”) cross sections in
(`)
terms of the Aαβ matrix in the partial wave expansion. Consider now
the graph in Fig. 4.
4
el(l) Not
k2 σ
α TOT Allowed
π (2l+1)
Allowed
0
0 1
k 2 σ inel(l)
α TOT
π (2l+1)
Figure 4: The allowed and forbidden regions for possible elastic and inelastic
cross sections for the scattering of particles in a multiplet.
This graph purports to show the allowed and forbidden regions for the
total elastic and inelastic cross sections in a given partial wave `. Derive
the formula for the allowed region of this graph. Make sure to check
the extreme points.
19
Solution: For simplicity, let the vertical axis be v, and the horizontal
axis u:
inel(`) el(`)
k 2 σαTOT k2 σαTOT
u= ;v = . (112)
π(2` + 1) π(2` + 1)
From the solution to the previous problem, and unitarity of the A(`)
matrix, we thus have
X (`)
u = |Aβα |2 = 1 − |A(`) 2
αα | , (113)
β6=α
20
where θ and φ are the spherical polar angles of the direction of particle
one. We did not specify a normalization for these basis vectors, but an
obvious (and conventional) choice is:
hθ 0 , φ0 , λ01 , λ02 |θ, φ, λ1 , λ2 i = δ (2) (Ω0 − Ω)δλ1 λ01 δλ2 λ02 , (120)
where d(2) Ω refers to the element of solid angle for particle one.
In the section on angular distributions, we obtained the result for the
transformation between these bases in the form:
X
j
|θ, φ, λ1 , λ2 i = cj |j, m, λ1 , λ2 iDmα (φ, θ, −φ), (121)
j,m
X Z 1 Z 2π
0 0
= cj 0 |j 0 , m0 , λ1 , λ2 i d cos θdjmα (θ)djm0 δ (θ) dφei(m−m )φ (123)
j 0 ,m0 −1 0
X Z 1
0 0
= 2π cj 0 |j , m, λ1 , λ2 i d cos θdjmα (θ)djmα (θ) (124)
j0 −1
X 2αjj 0
= 2π cj 0 |j 0 , m, λ1 , λ2 i (125)
j0
2j + 1
4π
= cj |j, m, λ1 , λ2 i. (126)
2j + 1
Note that we should perhaps justify the interchange of the order of
summation and integration in the very first step above. Thus,
2j + 1 Z j∗
|j, m, λ1 , λ2 i = dΩDmα (φ, θ, −φ)|θ, φ, λ1 , λ2 i. (127)
4πbj 4π
21
Now,
1 = hj, m, λ1 , λ2 |j, m, λ1 , λ2 i (128)
" #2 Z Z
2j + 1 j∗ j
= dΩDmα (φ, θ, −φ) dΩ0 Dmδ (φ0 , θ0 , −φ0 )hθ 0 , φ0 , λ1 , λ2 |θ, φ, λ1 , λ2 i
4π|cj | 4π 4π
" #2 Z Z
2j + 1 j∗
= dΩDmα (φ, θ, −φ) dΩ0 Dmα
j
(φ0 , θ0 , −φ0 )δ(cos θ0 − cos θ)δ(φ0 − φ)
4π|cj | 4π 4π
" #2 Z
2j + 1 j∗ j
= dΩDmα (φ, θ, −φ)Dmα (φ, θ, −φ) (129)
4π|cj | 4π
" #2 Z
2j + 1 1 h i2
= 2π d cos θ djmα (θ) (130)
4π|cj | −1
" #2
4π 2j + 1
= . (131)
2j + 1 4π|bj |
Therefore, |cj |2 = (2j + 1)/4π, or picking a phase convention,
s
4π
cj = . (132)
2j + 1
where we assume that it is all right to interchange the summation and
integration. Since each term is non-negative (and each finite), there is
no potential for cancellations. Hence, if we find convergence for one
ordering of the operations, we will for the other as well.
Note that we have used the result of Eqn. 348 of my angular momentum
notes to obtain:
Z 1 h i2 2
d cos θ djmα (θ) = . (133)
−1 2j + 1
12. In the notes we derived the optical theorem assuming that we had a
“symmetric central force”. Show that this assumption is unnecessary.
Hint: This is trivial, except for one piece of the assumption which you
will have to retain.
Solution: Start with the step prior to making the assumption in the
notes:
i δ(p0 − p00 ) 0 00 ∗ 00 0 δ(p0 − p00 ) Z
− [f (p , p ) − f (p , p )] = dΩu f (p0 , q)f ∗ (p00 , q).
2π p0 4π 2 (4π)
(134)
22
Note that we must have p0 = p00 = q ≡ p. Thus, write:
i 0 00 ∗ 00 0 1 Z
− [f (pu , pu ) − f (pu , pu )] = dΩu f (pu0 , pu)f ∗ (pu00 , pu).
p 2π (4π)
(135)
Now consider foward scattering: u00 = u0 :
Z
i 1
− [f (pu0 , pu0 ) − f ∗ (pu0 , pu0 )] = dΩu f (pu0 , pu)f ∗ (pu0 , pu).
p 2π (4π)
(136)
0 0
With the assumption that f (pu , pu) = f (pu, pu ), we immediately see
that we have once again the optical theorem:
4π
σT (p) = =f (p; 1). (137)
p
Note that the assumption we retained was that the scattering amplitude
is invariant (up to a phase) under interchange of incoming and outgoing
directions.
References
[1] Eyvind H. Wichmann, “Scattering of Wave Packets”, American Journal
of Physics, 33 (1965) 20-31.
[2] M. Jacob and G. C. Wick, “On the General Theory of Collisions for
Particles with Spin”, Annals of Physics, 7 (1959) 404.
23
Physics 125
Course Notes
Identical Particles
040422 F. Porter
1 Introduction
We briefly summarize the issues of dealing with systems of identical particles
in this note.
A classical particle, such as a ping pong ball, may be labelled and followed
without affecting its dynamics. A collection of identical quantum mechani-
cal particles, such as electrons, cannot be similarly “labelled” and followed
without affecting their dynamics. The key distinction is encapsulated as the
“overlap of wave functions”.
A system with one electron at point x1 and spin s1 and another electron
at point x2 and spin s2 is completely indistinguishable, and hence arguably
the same as, the system with the positions and spins switched. Let us develop
this idea, for spinless particles initially.
[P12 , H] = 0, (6)
and we can find simultaneous eigenfunctions of P12 and H. What are the
eigenfunctions of P12 ? Let ψλ (x1 , x2 ) be an eigenstate:
Thus, λ2 = 1, or λ = ±1.
If λ = +1, ψλ (x1 , x2 ) = ψλ (x2 , x1 ); the state is symmetric. If λ = −1,
ψλ (x1 , x2 ) = −ψλ (x2 , x1 ); the state is antisymmetric. Note that this implies
a degeneracy in the energy levels, since there are two states with the same
energy. This is referred to as an “exchange degeneracy”. However, it is exper-
imentally observed that a pair of identical particles is always in an eigenstate
of P12 , and that eigenstate depends only on the kind of particle. From our
present perspective, this has the status of a fundamental principle. However,
in quantum field theory, it is a theorem – see, for example, Feynman’s 1986
Dirac Memorial Lecture, “The Reason for Antiparticles”, Cambridge Univer-
sity Press, or, for a more mathematical treatment, Streater and Wightman’s
book, “PCT Spin&Statistics and All That”.
To describe this observation, we need to add spin to the discussion. When
we add spin, P12 has the effect (by definition):
That is, the spin quantum numbers are also interchanged. Particles which
are symmetric under this interchange are called “bosons”. Particles which
are antisymmetric under this interchange are called “fermions”. It is found
that particles with integer spin (s=0,1,2,. . . ) are always bosons, and particles
with half-integer spin ( 12 , 32 , . . .) are always fermions. This is the celebrated
connection between spin and statistics.
An important consequence for fermions is the Pauli Exclusion Princi-
ple: Two identical fermions cannot be in the same quantum state. We may
“demonstrate” this as follows: Let {φk (x, s)|k = 1, 2, . . .} be an orthonormal
2
basis for a single particle state. Then a basis for a two particle identical
particle state is formed out of the product space:
If the two particles are in the same quantum state, then the coefficients must
be symmetric:
Ajk = Akj . (12)
In that case,
Thus, ψ = −ψ, showing that the two particles cannot be in the same state.
The Pauli exclusion principle is crucial to atomic physics: once an energy
level in an atom is filled, any additional electrons must go into a different
level.
3 Example: Helium
Consider helium, with two electrons. The wave function of these two electrons
must be antisymmetric under interchange. We may use this to construct ap-
propriate ground state quantum numbers. As validated in class discussion,
we assume that the spin-dependent forces (“fine structure”) may be regarded
as perturbations, and look for states with the smallest orbital angular mo-
mentum, and lowest radial quantum numbers. Thus, we look for a ground
3
Symmetric (S = 1) Antisymmetric (S = 0)
| + +i
√1 (| + −i + | − +i √1 (| + −i − | − +i
2 2
| − −i
state where both electrons have ` = 0 and both are in the lowest radial state
(principal quantum numbers n1 = n2 = 1):
where R(r1 , r2 , |x1 − x2 |) = R(r2 , r1 , |x1 − x2 |). That is, the spatial wave
function is symmetric under interchange: ψ(x1 , x2 ) = ψ(x2 , x1 ). For this
to be possible, the part of the wave function involving the spins must be
antisymmetric. Labelling the spin states by z-projections, i.e., for single-
particle states:
1
|m = + i = |+i, (19)
2
1
|m = − i = |−i, (20)
2
we have states for two electrons shown in the table above.
We conclude that the ground state of helium has S = 0, in order that
the overall wave function be antisymmetric with respect to interchange of
the two electrons. In spectroscopic (L-S) notation, the ground state is a 1 S0
state. We see that the ground state is, in fact, non-degenerate. There is only
one state, instead of the possible four spin arrangements otherwise.
4
Experimentally, we observe no corresponding nn or pp bound states,
which we might expect form the charge independence of the nuclear force.
Hence, we suspect that the corresponding nn and pp states are forbidden
by the Pauli principle. From this inference, we shall deduce the spin of the
deuteron. Consider nn or pp in an ` = 0 state. If S = 1, the state is symmet-
ric, hence not allowed. If S = 0 the state is antisymmetric, hence allowed.
As the deuteron does not have nn or pp analogs, we conclude that the spin
of the deuteron is S = 1.
With this example in mind, we can generalize our discussion of identi-
cal particles and obtain a useful bookkeeping tool. Thus, consider isotopic
spin, and regard the proton and neutron as identical particles with different
isotopic spin projections: The states of a nucleon, N are
1 1
|pi = |I = , I3 = i (21)
2 2
1 1
|ni = |I = , I3 = − i. (22)
2 2
Since the deuteron does not have nn and pp partners, it is an isotopic spin
singlet state (I(d) = 0):
1
|di = √ (|pni − |npi). (23)
2
Regarding the p and n as states of identical fermions, we require that the
wave function be antisymmetric under interchange of all quantum numbers
(space, spin, and isotopic spin). A state of zero orbital angular momentum
and I = 0 must thus be even under spin interchange. Again the conclusion
is S(d) = 1.
Note that we haven’t actually introduced any new physical principle here,
just a bookkeeping device to arrive at the same result as before. Note that
the I = 1 combination, which is symmetric in isospin space, must have s = 0
(antisymmetric), if ` is even. We quote our bookkeeping device in the form
of an “Extended Pauli Principle”:
5
A state of two bosons, identical in the same sense, must be sym-
metric under interchange of all quantum numbers.
5 Exercises
1. Let us use the Pauli exclusion principle, and the combination of angular
momenta, to find the possible states which may arise when more than
one electron in an atom are in the same p-shell. Express your answers
for the allowed states in the spectroscopic notation: 2S+1 LJ , where S
is the total spin of the electrons under consideration, L is the total
orbital angular momentum, and J is the total angular momentum of
the electrons.
(a) List the possible states for 2 electrons in the same p-shell.
(b) List the possible states for 3 electrons in the same p-shell.
(c) List the possible states for 4 electrons in the same p-shell. Hint:
before you embark on something complicated for this part, think
a bit!
2. The pion (π) is a boson (with spin zero) with isotopic spin I = 1.
(a) Use our “extended “identical” boson symmetry principle to clas-
sify the allowed (I, J) values for a system of two pions. Here,
J refers to the relative angular momentum, and I to the total
isotopic spin, of the two pion state.
(b) Look up the experimental situation for particles which do and
don’t decay into two pions. [See, for example:
http://pdg.lbl.gov/2002/mxxx.pdf] Discuss what you find. Try to
resolve any puzzles, e.g., do you find particles which “ought” to
decay to two pions, but don’t? Do some decay to two pions when
they “shouldn’t”?
3. The magnetic dipole moment of the proton is:
e
µp = gp sp , (24)
2mp
6
with a measured magnitude corresponding to a value for the gyro-
magnetic ratio of gp = 2 × (2.792847337 ± 0.000000029). We haven’t
studied the Dirac equation yet, but the prediction of the Dirac equa-
tion for a point spin-1/2 particle is g = 2. We may understand the
fact that the proton gyromagnetic ratio is not two as being due to its
compositeness: In the simple quark model, the proton is made of three
quarks, two “ups” (u), and a “down” (d). The quarks are supposed
to be point spin-1/2 particles, hence, their gyromagnetic ratios should
be gu = gd = 2 (up to higher order corrections, as in the case of the
electron). Let us see whether we can make sense out of the proton
magnetic moment.
The proton magnetic moment should be the sum of the magnetic mo-
ments of its constituents, and any moments due to their orbital motion
in the proton. The proton is the ground state baryon, so we assume
that the three quarks are bound together (by the strong interaction)
in a state with no orbital angular momentum. By Fermi statistics, the
two identical up quarks must have an overall odd wave function under
interchange of all quantum numbers. We must apply this with a bit of
care, since we are including “color” as one of these quantum numbers
here.
Let us look a little at the property of “color”. It is the strong interaction
analog of electric charge in the electromagnetic interaction. However,
instead of one fundamental dimension in charge, there are three color
directions, labelled as “red” (r), “blue” (b), and “green” (g). Unitary
transformations in this color space, up to overall phases, are described
by elements of the group SU (3), the group of unitary unimodular 3 ×
3 matrices. Just like combining spins, we may combine three colors
according to a Clebsch-Gordan series, with the result:
3 × 3 × 3 = 10 + 8 + 8 + 1. (25)
7
(a) After some thought (perhaps involving raising and lowering op-
erators along different directions in this color space), you could
probably convince yourself that the singlet state in the decom-
position above must be antisymmetric under the interchange of
any two colors. Assuming this is the case, write down the color
portion of the proton wave function.
(b) Now that you know the color wave function of the quarks in the
proton, write down the spin wave function.
(c) Since the proton is uud and its isospin partner the neutron is
ddu, and mp ≈ mn , let us make the simplfying assumption that
mu = md . Given the measured value of gp , what does your model
give for mu ? Recall that the up quark has electric charge 2/3, and
the down quark has electric charge −1/3, in units of the positron
charge.
(d) Finally, use your results to predict the gyromagnetic moment of
the neutron, and compare with observation.
8
Physics 125
Course Notes
Identical Particles
Solutions to Problems
040422 F. Porter
1 Exercises
1. Let us use the Pauli exclusion principle, and the combination of angular
momenta, to find the possible states which may arise when more than
one electron in an atom are in the same p-shell. Express your answers
for the allowed states in the spectroscopic notation: 2S+1 LJ , where S
is the total spin of the electrons under consideration, L is the total
orbital angular momentum, and J is the total angular momentum of
the electrons.
(a) List the possible states for 2 electrons in the same p-shell.
Solution: The possible total orbital angular momenta are
L = 1 ⊗ 1 = 0 ⊕ 1 ⊕ 2, (1)
and the possible total spin states are
1 1
S= ⊗ = 0 ⊕ 1. (2)
2 2
We want the overall wave function to be antisymmetric. The odd
L states are antisymmetric, while the S = 0 state is antisymmet-
ric. Thus, the possible overall antisymmetric states are:
J = (S = 0) ⊗ (L = 0) = 0 (3)
J = 0⊗2=2 (4)
J = 1 ⊗ 1 = 0 ⊕ 1 ⊕ 2. (5)
That is, the possible states are:
1
S 0 ,1 D 2 ,3 P 0 ,3 P 1 ,3 P 2 . (6)
(b) List the possible states for 3 electrons in the same p-shell.
Solution: We note that we cannot give all three electrons Lz =
+1, hence there is no F state – we’ll only be able to make S, P, D
1
states. Likewise, we can only make an S = 3/2 state in S-wave.
All other states will have S = 1/2. Proceeding in this manner to
count all possible states, we have the possibilities:
4
S 3 , 2 D 5 , 2 D 3 , 2 P 3 ,2 P 1 , 2 S 1 . (7)
2 2 2 2 2 2
(c) List the possible states for 4 electrons in the same p-shell. Hint:
before you embark on something complicated for this part, think
a bit!
Solution: If all six states were occupied, then we would have only
one possible state, with
L = S = J = 0. (8)
2. The pion (π) is a boson (with spin zero) with isotopic spin I = 1.
2
(b) Look up the experimental situation for particles which do and
don’t decay into two pions. [See, for example:
http://pdg.lbl.gov/2002/mxxx.pdf] Discuss what you find. Try to
resolve any puzzles, e.g., do you find particles which “ought” to
decay to two pions, but don’t? Do some decay to two pions when
they “shouldn’t”?
Solution: The lowest mass non-strange meson above the pion is
the η, with I = 0 and J = 0. According to our rule, it ought to
decay to two pions. But it doesn’t! The problem is parity, which
is conserved in strong and electromagnetic interactions, and which
is odd for the η. Two pions in even L have even spatial parity.
Thus, we may augment our rule to include that P = (−)J .
The next state is the f0 (600). It also has I = J = 0, but P = +.
It ought to decay to two pions, and it does!
The ρ(770) has I = J = 1, and negative parity. It should decay
to two pions and it does. Another success!
The ω(782) has I = 0 and J = 1. It shouldn’t decay to two pions.
It does though. However, it dominantly decays to three pions,
which is kinematically less likely than two pions. Thus, the two
pion decay is at least suppressed. Indeed, it is smaller than the
clearly electromagnetic π 0 γ decay. Hence, we conclude that our
prediction is still all right, up to the electromagnetic interaction.
The electromagnetic interaction clearly violates isospin conserva-
tion (e.g., the proton and neutron interact differently electromag-
netically).
The KS0 meson has I = 1/2, so it shouldn’t decay to two pions
according to our rule. But it does! This decay is occurs via the
weak interaction; isospin is not conserved in the weak interaction.
3
fact that the proton gyromagnetic ratio is not two as being due to its
compositeness: In the simple quark model, the proton is made of three
quarks, two “ups” (u), and a “down” (d). The quarks are supposed
to be point spin-1/2 particles, hence, their gyromagnetic ratios should
be gu = gd = 2 (up to higher order corrections, as in the case of the
electron). Let us see whether we can make sense out of the proton
magnetic moment.
The proton magnetic moment should be the sum of the magnetic mo-
ments of its constituents, and any moments due to their orbital motion
in the proton. The proton is the ground state baryon, so we assume
that the three quarks are bound together (by the strong interaction)
in a state with no orbital angular momentum. By Fermi statistics, the
two identical up quarks must have an overall odd wave function under
interchange of all quantum numbers. We must apply this with a bit of
care, since we are including “color” as one of these quantum numbers
here.
Let us look a little at the property of “color”. It is the strong interaction
analog of electric charge in the electromagnetic interaction. However,
instead of one fundamental dimension in charge, there are three color
directions, labelled as “red” (r), “blue” (b), and “green” (g). Unitary
transformations in this color space, up to overall phases, are described
by elements of the group SU (3), the group of unitary unimodular 3 ×
3 matrices. Just like combining spins, we may combine three colors
according to a Clebsch-Gordan series, with the result:
3 × 3 × 3 = 10 + 8 + 8 + 1. (14)
(a) After some thought (perhaps involving raising and lowering op-
erators along different directions in this color space), you could
4
probably convince yourself that the singlet state in the decom-
position above must be antisymmetric under the interchange of
any two colors. Assuming this is the case, write down the color
portion of the proton wave function.
(b) Now that you know the color wave function of the quarks in the
proton, write down the spin wave function.
(c) Since the proton is uud and its isospin partner the neutron is
ddu, and mp ≈ mn , let us make the simplfying assumption that
mu = md . Given the measured value of gp , what does your model
give for mu ? Recall that the up quark has electric charge 2/3, and
the down quark has electric charge −1/3, in units of the positron
charge.
(d) Finally, use your results to predict the gyromagnetic moment of
the neutron, and compare with observation.
Solution: Note that there are six permutations of the three colors
among the three quarks, if no two quarks have the same color. The
completely antisymmetric combination of three colors is:
1
√ (|rgbi − |rbgi + |brgi − |bgri + |gbri − |grbi). (15)
6
To construct the spin wave function, we first note that the three
spin-1/2 quarks must combine in such a way as to give an overall
spin-1/2 for the proton. Second, since the space wave function is
symmetric, and the color wave function is antisymmetric, the spin
wave function of the two up quarks must be symmetric. Thus,
the two up quarks are in a spin 1 state. To give the spin wave
function of the proton, let us pick the z axis to be along the spin
direction. Then the spin state is:
s
11 2 1 1 1 11
| i= |11; − i − √ |10; i. (16)
22 3 2 2 3 22
5
Hence,
e 4 2 e 1 1 e
gp = 2 − 2 − . (18)
2mp 3 3 2mu 3 3 2md
With gp = 5.58, mp = 938 MeV, and mu = md , we obtain
The neutron wave function may be obtained from the proton wave
function by interchanging the u and d quark labels. Thus,
2 1 4 1
µn = (2µd − µu ) + µu = µd − µu . (20)
3 3 3 3
We predict the gyromagnetic moment of the nuetron to be:
4
µn µ − 13 µu
3 d
= 4 (21)
µp µ − 13 µd
3 u
4 1
3
− 3
− 13 23
= (22)
42 1 1
33
− 3
− 3
2
= − . (23)
3
That is, we predict (neglecting the mass difference) gn = −3.72.
This may be compared with the observed value of −3.83.
6
Physics 125
Course Notes
Electromagnetic Interactions
040512 F. Porter
1 Introduction
We discuss in this note the interaction of electromagnetic radiation with
matter. The framework remains the Schrödinger equation. However, we
develop the beginnings of the notion of second quantization and field theory
here.
But q∇χ = q(A0 −A), so the quantity p −qA is gauge invariant. Classically,
this corresponds to the fact that this is just m dx
dt
. In the Heisenberg picture:
dx(t)
m = p(t) − qA(x, t). (12)
dt
This corresponds to the physical observable of position. While the potentials
and wave functions change under a gauge transformation, physical observ-
ables are gauge invariant quantum mechanically, as classically.
As an aside, let us remark a little further on our gauge transforma-
tion. The quantity χ(x, t) is an arbitrary scalar function (required to be
differentiable). Thus, our electromagnetic theory is invariant under gauge
transformations where the wave function transforms according to ψ → eiχ ψ.
The eiχ factor may be regarded as a one-by-one unitary matrix. We have
2
a group symmetry, where the transformation group is just U (1), called a
(local) “gauge group”. The word “local” is used because χ may vary with
position. A “global” U (1) symmetry corresponds to constant χ. In quantum
field theory, one often starts with the symmetry (for example, the symmetry
group SU (3) for quantum chromodynamics) and works out the transforma-
tion properties, and hence the interactions, of the gauge fields.
Returning to electromagnetic interactions, let us rewrite the Hamiltonian
in the form H = H0 + Hint , where H0 is the Hamiltonian in the absence of
the electromagnetic fields,
p2
H0 = + V, (13)
2m
and hence,
q q2 2
Hint = − (p · A + A · p) + A + qΦ. (14)
2m 2m
If there are N particles interacting with the field, we have:
N
( )
X qi q2
Hint = − [pi · A(xi , t) + A(xi , t) · pi ] + i A2 (xi , t) + qi Φ(xi , t) ,
i=1 2mi 2mi
(15)
where any interactions (including electromagnetic) between the particles are
included separately in V .
Suppose all of the particles have mass m and charge q. Then,
X XZ
qΦ(xi , t) = d3 (x)qδ (3) (x − xi )Φ(x, t) (16)
i i
Z
= d3 (x)qρ(x)Φ(x, t), (17)
P
where ρ(x) ≡ i δ (3) (x − xi ). Note that
Z
d3 (x)ρ(x) = N. (18)
3
where we have been careful to define it such that it is a hermitian operator.
Thus, we may write:
Z " #
3 q2
Hint = d (x) −qj(x) · A(x, t) + ρ(x)A2 (x, t) + qρ(x)Φ(x, t) .
(∞) 2m
(20)
We remark that p/m is not the velocity of the particle in the presence of
the electromagnetic field. Instead,
1 q
v= p − A. (21)
m m
Thus, the operator for the particle current density is actually
q
J(x) = j(x) − A(x, t)ρ(x). (22)
m
We’ll now expand the external field in plane waves in a (large) box of
volume V with periodic boundary conditions:
!
X eik·x−iωt e−ik·x+iωt ∗
A(x, t) = Ak √ + A∗k √ , (25)
k, V V
P
where is the polarization vector, sums over two orthogonal polariza-
tions for given k, and is orthogonal to k in the transverse gauge. Where
convenient, we will take the continuum limit:
Z 2
1 X k dkdΩ
→ . (26)
V k (2π)3
4
We have:
!
XZ eik·x−iωt e−ik·x+iωt
3
Hint = −q d (x)j(x) · Ak √ + A∗k ∗ √
k, (∞) V V
!
X −iωt iωt
e e
= −q Ak ĵ(−k) · √ + A∗k ĵ(k) · ∗ √ , (27)
k, V V
where
Z
ĵ(k) = d3 (x)j(x)e−ik·x (28)
(∞)
1 X −ik·xi
= pi e + e−ik·xi pi . (29)
2m i
Let us calculate the absorption rate of a beam of light with this superpo-
sition of plane waves, by an atom in some state |0i. We assume that the light
is incoherent – here meaning that there aren’t phase correlations among the
different Fourier components. For example, the light source could be a hot
gas (e.g., sodium vapor), with atoms emitting independently. In this case,
we can compute the result for each Fourier component separately, and then
sum over the components.
Recall Fermi’s golden rule:
Γ0→n = 2π|hn|Hint |0i|2 δ(En − E0 − ω). (30)
In this case, conservation of energy includes the emitted photon, so the delta-
function has the photon energy ω = k in it. Note that the atomic states may
not be part of a continuum (as we assumed when we obtained the golden rule),
but we will still get transition probabilities proportional to time (golden rule)
as long as the incident light beam has a continuum of frequencies.
The Fourier components in our beam induce both upward and downward
transitions of the atom. The upward transitions are caused by the “positive”
frequency component of the perturbation, and the downward transitions by
the “negative” frequency component. From the golden rule, then, the rate
of upward transitions is:
q2
Γk (abs; 0 → n) = 2πδ(En − E0 − ω) |Ak |2 |hn|ĵ(−k) · |0i|2 . (31)
V
Summing over k, (with two orthogonal polarizations for each k):
1 X
Γ(abs; 0 → n) = 2πδ(En − E0 − ω)q 2 |Ak |2 |hn|ĵ(−k) · |0i|2 . (32)
V k,
5
Changing the sum to an integral (with k = ω) and doing the delta function
integral (hence ω = En − E0 ) yields:
Z
ω2 X
Γ(abs; 0 → n) = 2πq 2 dΩ |Ak |2 |hn|ĵ(−k) · |0i|2 .
(33)
(2π)3 (4π)
Suppose, for example, that the incident light beam subtends a solid angle
∆Ω, and is polarized, with polarization vector . According to Maxwell’s
equations,
E(x, t) = −∂t A(x, t) (34)
B(x, t) = ∇ × A(x, t), (35)
and the energy in an electromagnetic field is
1 Z 3
E= d (x)(E2 + B2 ). (36)
8π
We thus have the energy in our superposition of plane waves, averaged over
a few cycles:
X ω2
E= |Ak |2 . (37)
k,
2π
With c = 1, this gives the rate of energy transport of our beam (in the given
polarization):
Z
1 X ω2 ω4
|Ak |2 = ∆Ω dω |Ak |2 , (38)
V k 2π (2π)4
with units of energy per unit area per unit time. The intensity of the incident
beam per unit frequency is thus
ω 4 |Ak |2
I(ω) = ∆Ω, (39)
(2π)4
and we may write the absorption rate in terms of this intensity:
(2π)2 q 2
Γ (abs; 0 → n) = I(ω)|hn|ĵ(−k) · |0i|2 . (40)
ω2
The rate of downward transitions (“induced emission”), from |ni to |0i
is similarly calculated to be (for polarized beam):
1 X
Γ (ind em; n → 0) = 2πδ(En − E0 − ω)q 2 |Ak |2 |h0|ĵ(k) · ∗ |ni|2 .
V k
(2π)2 q 2
= I(ω)|h0|ĵ(k) · ∗ |ni|2 , (41)
ω2
6
where ω = En − E0 . Since
h0|ĵ(k) · ∗ |ni = (hn|ĵ(−k) · |0i)∗ , (42)
we see that
Γ(abs; 0 → n) = Γ(ind em; n → 0). (43)
Let us transform the absorption rate into a cross section. Suppose that
there are Nk photons in the k mode of the incident beam, and let ω = |k|.
Then the total energy in the incident beam is:
X
E= ωNk . (44)
k,
But Vk is just the density of incident photons per unit volume, in the spec-
N
ified mode, and hence, with c = 1, is the incident photon flux. Thus, we
define the total absorption cross section:
Γk (abs)
σk (abs) = (49)
incident flux
4π 2 q 2 X
= |hn|ĵ(−k) · |0i|2 δ(En − E0 − ω). (50)
ω n
7
4 Quantized Radiation Field
The discussion in terms of the number of photons in the beam suggests the
following approach, of a quantized radiation field. Instead of talking about the
absorption or induced emission of energy from/to a classical electromagnetic
field, we can think, for example, of the absorption process as the atom making
the |0i → |ni transition, while the electromagnetic field makes a transition
from a state with “N” photons to a state with “N − 1” photons.
Adopting this approach, we specify our incoherent beam by giving the
number of photons in each (k) mode. Hence, the normalized intitial state
of the electromagnetic field is:
|Nk1 1 , Nk22 , . . .i, (51)
where Nk1 1 is the number of photons in mode k1 1 , etc. Two states are
orthogonal if any of the Nk differ. The absorption by an atom (or other
“matter” sysytem) in state |0i of a photon in mode k, resulting in the atom
in state |ni, corresponds to the transition between states of the entire system:
|0; Nk1 1 , Nk2 2 , . . . , Nk , . . .i → |n; Nk1 1 , Nk2 2 , . . . , Nk − 1, . . .i. (52)
The initial energy is X
Ei = E0 + k 0 Nk00 , (53)
k0 , 0
9
Notice the close similarity with the harmonic oscillator creation and destruc-
tion operators a† and a. We may regard the quantum mechanical description
of the elecromagnetic radiation field as an infinite number of hamonic oscil-
lators (one per mode), with the photon as the quntum of these oscillators.
Let us define a Hermitian “electromagnetic field operator”:
1 X
Â(x) ≡ √ Âk eik·x + †k ∗ e−ik·x . (66)
V k
In terms of this operator, we may write the operator, Ĥint , for the interaction
of matter with this quantum mechanical radiation field as:
Z ( )
q2 h i2
3
Ĥint = d (x) −qj(x) · Â(x) + ρ(x) Â(x) , (67)
2m
Γk (em; n → 0) = 2πδ(En −E0 −ω)|h0; . . . , Nk +1, . . . |Ĥint |n; . . . , Nk , . . .i|2 .
(70)
The matrix element is:
10
Hence, the emission rate is
4π 2 q 2
Γk (em; n → 0) = δ(En − E0 − ω)|h0|ĵ(k) · ∗ |ni|2 (Nk + 1). (73)
ωV
This is not quite the same as the “induced emission” rate we calculated
earlier in our classical correspondence treatment,
4π 2 q 2
Γk (ind em; n → 0) = δ(En − E0 − ω)|h0|ĵ(k) · |ni|2 Nk . (74)
ωV
We now have an additional “+1” in the Nk +1 term. That is, even if Nk = 0,
we can have the emission take place. This is “spontaneous emission”, and the
total emission rate is just the sum of the induced and spontaneous emission
rates. Spontaneous emission may be regarded as the quantum mechanical
version of classical radiation from an accelerating charge.
hΩ|Â(x)|Ωi = 0. (76)
11
4.2 Einstein’s A and B Coefficients
Let us formulate a statistical argument for the rate of spontaneous emission:
The probability of finding a system at temperature T with energy E is given
by the Boltzmann distribution, i.e., is proportional to e−E/T . Apply this to
the problem of photons in a cavity with walls at temperature T . The relative
probability of having N photons in mode k, since E = N k, is e−N k/T .
Therefore, the average number of photons in mode k is:
P∞
N e−N k/T
N =0
hNk i = P∞ −N k/T
(78)
N =0 e
d P∞ −N k/T
− d(k/T ) N =0 e
= P∞ (79)
e−N k/T
N =0
d
− d(k/T )
(1 − e−k/T )−1
= (80)
(1 − e−k/T )−1
1
= k/T , (81)
e −1
a result known as “Planck’s distribution law”. The average energy per mode
is thus,
k
hEk i = khNk i = k/T . (82)
e −1
Now, in a cavity, photons are constantly being absorbed and emitted on
the walls. How must the absorption and emission rates be related in order
to give the above average for Nk ? Let us consider a simplified model for
the walls: Suppose that the atoms of the walls have two levels, with energies
E0 < En . According to the Boltzmann law, the probability to have an atom
in the upper state is Pn ∝ e−En /T , and hence:
Pn
= e−(En −E0 )/T . (83)
P0
Consider a state of equilibrium between these atoms and radiation of fre-
quency ω = En − E0 in the cavity. Photons of this energy are absorbed at
a rate proportional to the number, N , of such photons present, and propor-
tional to the probability that an atom is in its lower level, P0 :
!
dN
= −BNP0 , (84)
dt abs
12
where the minus sign is for the absorption of photons (decrease in N), and
B is a proportionality constant. Likewise, emission is induced at the rate:
!
dN
= BNPn . (85)
dt ind em
A/B
hN i = . (89)
e(En −E0 )/T −1
Comparing this result with Planck’s law, we find that A = B. Thus,
!
dN
= BPn (N + 1), (90)
dt em
in agreement with our earlier result for the quantum emission rate. We
have deduced this without knowing B, simply by using “detailed balance”
arguments.
5 Exercises
1. Prove the theorem:
13
Theorem: Let the Hamiltonian for a charged particle interacting with
an electromagnetic field be H:
1
H= [p − qA(x, t)]2 + qΦ(x, t) + U (x, t), (91)
2m
Let H 0 be the Hamiltonian obtained from H by a gauge transfor-
mation:
and
1 X h (3) i
j(x) = pi δ (x − xi ) + δ (3) (x − xi )pi . (97)
2m i
(a) Show that J(x) is a gauge invariant operator (i.e., that its matrix
elements are gauge invariant).
(b) Show, in the Heisenberg representation, the familiar law:
∂ρ(x, t)
+ ∇ · J(x, t) = 0 (98)
∂t
3. We defined the quantum mechanical electromagnetic field operators
Âk and †k .
14
(b) We may define the quantum mechanical electric field operator
according to:
1 X
Ê(x) = √ −iω Âk eik·x + iω †k ∗ e−ik·x . (99)
V k
Make sure this definition makes sense to you. Compute the ex-
pectation value:
hΩ|Ê(x) · Ê(x0 )|Ωi (100)
ˆ (x), of Ê(x) over a small volume V. What
(c) Consider the average, Ē
is 2
ˆ
hΩ| Ē(x) |Ωi, (101)
15
Physics 125
Course Notes
Electromagnetic Interactions
Solutions to Problems
040520 F. Porter
1 Exercises
1. Prove the theorem:
Theorem: Let the Hamiltonian for a charged particle interacting with
an electromagnetic field be H:
1
H= [p − qA(x, t)]2 + qΦ(x, t) + U (x, t), (1)
2m
Let H 0 be the Hamiltonian obtained from H by a gauge transfor-
mation:
A(x, t) → A0 (x, t) = A(x, t) + ∇χ(x, t) (2)
Φ(x, t) → Φ0 (x, t) = Φ(x, t) − ∂t χ(x, t), (3)
If i∂t ψ = Hψ and i∂t ψ 0 = H 0 ψ 0 , then
ψ 0 (x, t) = eiqχ(x,t) ψ(x, t). (4)
Solution: In the original gauge, the Schrödinger equation is:
∂ψ(x, t)
i = Hψ(x, t) (5)
∂t
1
= [−i∇ − qA(x, t)]2 + qΦ(x, t) + U (x, t) ψ(x, t).
2m
In the new gauge, the Schrödinger equation is:
∂ψ 0 (x, t)
i = H 0 ψ 0 (x, t) (6)
∂t
1 2
= [−i∇ − qA0 (x, t)] + qΦ0 (x, t) + U (x, t) ψ 0 (x, t)
2m
Suppose ψ 0 (x, t) = eiqχ(x,t) ψ(x, t). Consider taking e−iqχ times equa-
tion 7, and subtracting Eqn. 6. The left hand side of the result is:
h i
e−iqχ (i∂t ψ 0 ) − i∂t ψ = i e−iqχ (eiqχ ∂t ψ + ψ∂t eiqχ ) − ∂t ψ (7)
= −q(∂t χ)ψ. (8)
1
The right hand side is:
e−iqχ H 0 ψ 0 − Hψ (9)
1
= e−iqχ (i∇ + qA + q∇χ)2 + qΦ − q∂t χ + U eiqχ ψ
2m
1 2
− (i∇ + qA) + qΦ + U ψ
2m
1 1
= e−iqχ (i∇ + qA + q∇χ)2 eiqχ − (i∇ + qA)2 ψ − q(∂t χ)ψ.
2m 2m
Comparing the two sides, we find that the theorem will be verified if
we can show that
h i
e−iqχ (i∇ + qA + q∇χ)2 eiqχ − (i∇ + qA)2 ψ = 0. (10)
For convenience, absorb the charge into A and into χ. Then we want
to evaluate:
h i
e−iχ (i∇ + A + ∇χ)2 eiχ − (i∇ + A)2 ψ (11)
(
h i
= e−iχ −∇2 + (A + ∇χ)2 + i 2(A + ∇χ) · ∇ + ∇ · A + ∇2 χ eiχ
)
2 2
+∇ − A − i(2A · ∇ + ∇ · A) ψ
(
h i
= e−iχ −∇2 + 2A · ∇χ + (∇χ)2 + i 2(A + ∇χ) · ∇ + ∇2 χ eiχ
)
2
+∇ − 2iA · ∇ ψ
= −i∇χ · (∇ + i∇χ) − i∇2 χ − i∇χ · ∇ + 2A · ∇χ + (∇χ)2
+i 2iA · ∇χ + 2i(∇χ)2 + 2∇χ · ∇ + ∇2 χ ψ
= 0, (12)
as desired.
and
1 X h (3) i
j(x) = pi δ (x − xi ) + δ (3) (x − xi )pi . (15)
2m i
(a) Show that J(x) is a gauge invariant operator (i.e., that its matrix
elements are gauge invariant).
Solution:
1 X h (3) i q X
J(x) = pi δ (x − xi ) + δ (3) (x − xi )pi − A(x, t) δ (3) (x − xi ),
2m i m i
1 Xh i
= (pi − qA(xi ))(δ (3) (x − xi ) + δ (3) (x − xi )(pi − qA(xi )) (. 16)
2m i
Thus, if J → J0 , then
∂ρ(x, t)
+ ∇ · J(x, t) = 0 (21)
∂t
Solution: In the Schrödinger picture, we have:
X
ρS (x) = δ (3) (x − xi ), (22)
i
1 Xh i
JS (x) = (pi − qA(xi ))(δ (3) (x − xi ) + δ (3) (x − xi )(pi − qA(xi(23)
)) .
2m i
3
The Heisenberg operators may be obtained from the Schrödinger
operators according to:
4
It is obvious that:
h i
Âk , Âk00 = 0 (33)
h i
†k , †k00 = 0. (34)
Also, h i
†k , Âk0 0 = 0, if k 6= k0 or 6= 0 . (35)
It remains to consider:
h i
†k , Âk0 0 |Nk1 1 , . . . , Nk , . . .i = (36)
2π 2π
Nk |Nk1 1 , . . . , Nk , . . .i − (Nk + 1)|Nk11 , . . . , Nk , . . .i.
ω ω
Thus,
h i 2π
†k , Âk0 0 = − . (37)
ω
(b) We may define the quantum mechanical electric field operator
according to:
1 X
Ê(x) = √ −iω Âkeik·x + iω †k ∗ e−ik·x . (38)
V k
Make sure this definition makes sense to you. Compute the ex-
pectation value:
hΩ|Ê(x) · Ê(x0 )|Ωi (39)
Solution:
1 XX
hΩ|Ê(x) · Ê(x0 )|Ωi = ωω 0 (40)
V k k0 0
0 0 0 0
hΩ| −iÂk eik·x + i†k ∗ e−ik·x · −iÂk0 0 0 eik ·x + i†k0 0 0∗ e−ik ·x |Ωi
1 X 2 2π ik·(x−x0 )
= ω e (41)
V k ω
Z
d3 k 0
=2 3
2πωeik·(x−x ) (42)
(∞) (2π)
We have:
Z
04π X ik·(x−x0 ) 1 0
hΩ|Ê(x) · Ê(x )|Ωi = ωe = 2 d3 kωeik·(x−x ) .
V k 2π (∞)
(43)
5
Let’s work further with the integral form. Let r ≡ x − x0 , r = |r|,
and ω = k = |k|. Let θ be the angle between k and r. Then,
Z Z
1 ∞ 3 1
hΩ|Ê(x) · Ê(x0 )|Ωi = k dk d cos θeikr cos θ (44)
π 0 −1
2 Z∞ 2
= k sin krdk (45)
πr 0
Z ∞
2
= x2 sin xdx. (46)
πr4 0
3
Y 1 1
= 2i sin kj `/2 (49)
j=1 ` ikj
3
Y 2
= sin kj `/2 (50)
j=1 kj `
≈ 1 for kj ` small. (51)
Hence,
Z
ˆ (x) = 1
Ē Ê(x)d3 (x) (52)
V V
1 X 1 Z ik·x 3 1 Z −ik·x 3
= √ iω −Âk e d (x) + †k ∗ e d (x)
V k V V V V
1 X h iY3
2
= √ iω −Âk + †k ∗ sin kj `/2. (53)
V k j=1 kj `
6
The vacuum expectation of the square of this averaged operator
is:
2 3 !2
ˆ (x) 1 X 2 ∗ 2π Y 2
hΩ| Ē |Ωi = (−ω ) · − sin2 kj `/2
V k ω j=1 kj `
3
!2
4π X Y 2
= ω sin2 kj `/2. (54)
V k j=1 kj `
Thus, for k 1/` we sum the photon energies, and for k ` the
terms in the sum fall off rapidly with increasing k. As the volume
V becomes smaller and smaller, the sum gets larger and larger,
with the “limit”:
2
ˆ (x) 4π X
hΩ| Ē |Ωi → ω. (55)
V k
7
Physics 195
Course Notes
Second Quantization
030304 F. Porter
1 Introduction
This note is an introduction to the topic of “second quantization”, and hence
to quantum “field theory”. In the Electromagnetic Interactions note, we have
already been exposed to these ideas in our quantization of the electromagnetic
field in terms of photons. We develop the concepts more generally here, for
both bosons and fermions. One of the uses of this new formalism is that it
provides a powerful structure for dealing with the symmetries of the states
and operators for systems with many identical particles.
(b†0 )n
|n = √ |0. (6)
n!
We may write the n-particle state in terms of the vacuum state by:
(b†0 )n
|n = √ |0. (10)
n!
Now suppose that the particles are fermions, and define fermion annihi-
lation and creation operators:
2
The algebraic properties of the fermion operators are different from those
of the boson operators. The commutator, in the |0, |1 basis, is
1 0
[f0 , f0† ] = = I. (15)
0 −1
Consider the anticommutator:
{f0 , f0 } = 0, (18)
{f0† , f0† } = 0. (19)
and also,
√
b1 |n0 , n1 = n1 |n0 , n1 − 1 (22)
† √
b1 |n0 , n1 = n1 + 1|n0 , n1 + 1. (23)
3
so that
B|n0 , n1 = (n0 + n1 )|n0 , n1 . (28)
In the case of fermions, we now have four possible states: |0, 0, |1, 0, |0, 1,
and |1, 1. We define:
Since f0 is the hermitian conjugate of f0† , we also have f0 |1, 1 = −|0, 1.
We therefore have the anticommutation relations:
All other anticommutators are zero, including {f0 , f1 } = {f0 , f1† } = 0, fol-
lowing from the antisymmetry of fermion states under interchange.
4
We may generalize these results to spaces with an arbitrary number of
single particle states. Thus, let |n0 , n1 , . . . be a vector in such a space. For
the case of bosons, we have, in general:
3 Field Operators
Consider now plane wave states in a box (rectangular volume V , sides Li , i =
1, 2, 3), with periodic boundary conditions:
eik·x
φk (x) = √ , (48)
V
5
momentum k and spin projection s; the annilation operator aks removes
one. Note that φk (x) is the amplitude at x to find a particle added by a†ks .
Now consider the operator:
e−ik·x †
ψs† (x) ≡ √ aks . (49)
k V
eik·x
ψs (x) ≡ √ aks (52)
k V
removes a particle at x. The operators ψs† (x) and ψs (x) are called “field op-
erators”. They have commutation relations following from the commutation
relations for the a and a† operators:
where the upper sign is for fermions, and the lower sign is for bosons. For
bosons, adding (or removing) a particle at x commutes with adding one at
x . For fermions, adding (or removing) a particle at x anticommutes with
6
adding one at x . Also,
eik·x eik ·x {fks , fk† s }
ψs (x)ψs† (x ) ± ψs† (x )ψs (x) = (55)
k,k
V [bks , b†k s ]
eik·x eik ·x
= δkk δss (56)
k,k
V
eik·(x−x
= δss (57)
k V
= δ(x − x )δss . (58)
gives
|x2 , x1 , x3 , . . . , xn = −|x1 , x2 , x3 , . . . , xn . (61)
Note also that we can add another particle, and automatically maintain the
desired symmetry:
√
ψ † (x)|x1 , x2 , x3 , . . . , xn = n + 1|x1 , x2 , x3 , . . . , xn , x. (62)
1
These Hilbert spaces of multiple, variable numbers of particles, are known as Fock
spaces.
7
Now let us evaluate:
1
ψ(x)|x1 , x2 , x3 , . . . , xn = √ ψ(x)ψ † (xn ) . . . ψ † (x1 )|0
n!
1 (3)
= √ δ (x − xn ) ± ψ † (xn )ψ(x) ψ † (xn−1 ) . . . ψ † (x1 )|0
n!
1 (3)
= √ δ (x − xn )|x1 , x2 , . . . , xn−1
n!
±δ (3) (x − xn−1 )|x1 , x2 , . . . , xn−2 , xn
+...+
(±)n−1 δ (3) (x − x1 )|x2 , x2 , . . . , xn , (63)
where the upper sign is for bosons and the lower for fermions. This quantity
is non-zero if and only if x = xj (and the corresponding suppressed spin
projections are also the same). If this is the case, the n − 1 particle state
which remains after performing the operation has the correct symmetry.
Note that
1 † †
x1 , x2 , . . . , xn | = √ ψ (xn )ψ † (xn−1 ) . . . ψ † (x1 )|0
n!
1
= 0|ψ(x1 ) . . . ψ(xn ) √ . (64)
n!
Thus, by iterating the above repeated commutation process we calculate:
x1 , x2 , . . . , xn |x1 , x2 , . . . , xn = δnn (±)P P [δ(x1 − x1 )δ(x2 − x2 ) . . . δ(xn − xn )] ,
P
(65)
where P is a sum over all permutations, P , of x1 , x2 , . . . , xn and the (−)P
factor for fermions inserts a minus sign for odd permutations.
Suppose we wish to create an n particle state φ(x1 , x2 , . . . , xn ) which has
the desired symmetry, even if φ itself does not. The desired state is:
|Φ = d3 (x1 ) . . . d3 (xn )φ(x1 , x2 , . . . , xn )|x1 , x2 , . . . , xn . (66)
8
That is, x1 , x2 , . . . , xn |Φ is properly symmetrized. If φ is already properly
symmetrized, then all n! terms in P are equal and x1 , x2 , . . . , xn |Φ =
φ(x1 , x2 , . . . , xn ). If φ is normalized to one, and symmetrized, we have:
Φ|Φ = d3 (x1 ) . . . d3 (xn )φ∗ (x1 , x2 , . . . , xn )x1 , x2 , . . . , xn |
d3 (x1 ) . . . d3 (xn )φ(x1 , x2 , . . . , xn )|x1 , x2 , . . . , xn
= d3 (x1 ) . . . d3 (xn ) d3 (x1 ) . . . d3 (xn )
1
φ∗ (x1 , x2 , . . . , xn )φ(x1 , x2 , . . . , xn ) (±)P P [δ(x1 − x1 )δ(x2 − x2 ) . . . δ(xn − xn )]
n! P
= d3 (x1 ) . . . d3 (xn )|φ(x1 , x2 , . . . , xn )|2 (68)
= 1. (69)
Summing the n particle identity operators gives the identity on the sym-
metrized states of any number of particles: I = ∞n=0 In , where I0 = |00|.
4 Exercises
1. Consider a two-level fermion system. With respect to basis |0, 0, |0, 1, |1, 0, |1, 1,
construct the explisict 4 × 4 matrices representing the creation and an-
nihilation operators f0 , f1 , f0† , f1† . Check that the desired anticommu-
tation relations are satisfied. Form the explicit matrix representation
of the total number operator.
9
2. You showed in Exercise 1 of the Electromagnetic Interactions course
note that under a gauge transformation:
that the wave function (the solution to the Schrödinger equation) has
the corresponding transformation:
10
Complex Variables
020701 F. Porter
Revision 091006
1 Introduction
This note is intended as a review and reference for the basic theory of complex
variables. For further material, and more rigor, Whittaker and Watson is
recommended, though there are very many sources available, including a
brief review appendix in Matthews and Walker.
2 Complex Numbers
Let z be a complex number, which may be written in the forms:
z = x + iy (1)
= reiθ , (2)
where x, y, r, and θ are real numbers. The quantities x and y are referred
to as the real and imaginary parts of z, respectively:
x = (z), (3)
y = (z). (4)
and θ is called the argument, θ = arg(z), or the phase, or simply the angle
of z. We have the transformation between these two representations:
x = r cos θ, (6)
y = r sin θ, (7)
1
y
z
r
θ
x
−θ
z*
z ∗ = numbers,
The product of two complex z1 −iθ
x − iy = re and. z2 , is given by: (10)
Notice that
zz ∗ = x2 + y 2 = |z|2 . (12)
It is also interesting to notice that in the product:
the real part looks something like a “scalar product” of two vectors, and the
imaginary part resembles a “cross product”.
2
Defining a suitable derivative requires some care. Start with the definition
for real functions of a real number:
df f (x + Δx) − f (x)
f (x) = (x) = lim . (14)
dx Δx→0 Δx
But in the complex case we have real and imaginary parts to worry about.
First, define what we mean by a limit. Let f (z) be a single-valued function
defined at all points in a neighborhood of z0 (except possibly at z0 ). Then
we say that f (z) → w0 as z → z0 , or limz→z0 f (z) = w0 , if, for every > 0,
there exists a δ > 0 such that (Fig. 2):
|f (z) − w0 | < ∀z satisfying 0 < |z − z0 | < δ. (15)
Note that we have not required “f (z0 )” to be defined, in order to define the
limit (Fig. 3).
y
d
z0
"f(z)"
z0 "z"
3
where u and v are real. Then limz→z0 = f (z0 ) implies
where the path of approach to the limit point must lie within the region of
definition. We may thus define continuity to the boundary of a closed region,
if the path is within the region.
Now, in our definition of f (z), we note that there are an infinite number
of possible paths along which we can make Δz = Δx + iΔy → 0.
x
Figure 4: Various paths along which to approach a point.
4
The two expressions are equal if and only if the real and imaginary parts are
separately equal:
∂u ∂v
= (21)
∂x ∂y
∂u ∂v
= − . (22)
∂y ∂x
These important conditions are known as the Cauchy Riemann equations,
or C-R equations, for short. We may state this in the following theorem:
Theorem: If u, v possess first derivatives throughout a neighborhood of z0 ,
which are continuous at z0 , then the Cauchy Riemann equations, if
df
satisfied, guarantee the existence of dz (z0 ).
Proof: Write:
∂u ∂u
Δu = Δx + Δy + ux Δx + uy Δy (23)
∂x ∂y
∂v ∂v
Δv = Δx + Δy + vx Δx + vy Δy, (24)
∂x ∂y
where the correction terms for non-linearities, ij , approach zero as
Δx, Δy → 0.
Using the Cauchy Riemann equations, we obtain:
∂u ∂v
Δu = Δx − Δy + ux Δx + uy Δy (25)
∂x ∂x
∂v ∂u
Δv = Δx + Δy + vx Δx + vy Δy. (26)
∂x ∂x
Thus,
Δf Δu + iΔv
=
Δz Δz
∂u ∂v
(Δx + iΔy) + i ∂x (Δx + iΔy) + x Δx + y Δy
= ∂x , (27)
Δx + iΔy
where x ≡ ux + ivx → 0, y ≡ uy + ivy → 0 as Δx, Δy → 0.
Furthermore,
Δx Δy
≤ 1, ≤ 1. (28)
Δx + iΔy Δx + iΔy
Therefore,
df Δu + iΔv ∂u ∂v
= lim = +i , (29)
dz Δz→0 Δz ∂x ∂x
independent of path. This completes the proof.
5
We have the following equivalent ways of expressing the derivative:
df ∂u ∂v ∂v ∂v ∂v ∂u ∂u ∂u
= +i = +i = −i = −i . (30)
dz ∂x ∂x ∂y ∂x ∂y ∂y ∂x ∂y
It is of interest to also consider this discussion in terms of the polar form.
In this case, we may consider the Δr = 0 path:
y
z+D z Dz
Dq z
q
x
f (zeiΔθ ) − f (z)
f (z) = lim
Δθ→0 z(eiΔθ − 1)
u(r, θ + Δθ) − u(r, θ) i [v(r, θ + Δθ) − v(r, θ)]
= lim +
Δθ→0 izΔθ izΔθ
i ∂u 1 ∂v
= − + . (31)
z ∂θ z ∂θ
Similarly, for the Δθ = 0 path:
f (r + Δr)eiθ − f (z)
f (z) = lim
Δr→0
eiθ Δr
u(r + Δr, θ) − u(r, θ) i [v(r + Δr, θ) − v(r, θ)]
= lim +
Δr→0 eiθ Δr eiθ Δr
1 ∂u i ∂v
= iθ + iθ . (32)
e ∂r e ∂r
Hence,
∂u ∂v i ∂u 1 ∂v
eiθ f (z) =
+i =− + . (33)
∂r ∂r r ∂θ r ∂θ
We have thus obtained the Cauchy-Riemann relations in polar form:
∂u 1 ∂v
= (34)
∂r r ∂θ
∂v 1 ∂u
= − . (35)
∂r r ∂θ
6
A function f (z) of complex variable z is called analytic at the point z0 if
it is single-valued and possesses a derivative at every point in a neighborhood
of z0 . Otherwise, z0 is a singular point of f (z). If f (z) is analytic at every
point in a simply connected open region (“domain”) D, then it is referred
to as analytic throughout D. Other terms that are often used for this (with
some variation of meaning) are regular and holomorphic. Sometimes the
term “analytic” is not required to be single-valued, that is, single-valuedness
in a domain D means that, after following any closed path in D, the function
f (z) returns to its initial value. If f (z) is analytic for all finite z, then f (z)
is an entire function.
Examples:
• f (z) = z 3 is an entire function.
• f (z) = 1/z 2 is analytic everywhere except at z = 0, where it is not
defined. We note that for this function,
x2 − y 2 2xy
u= , v=− . (36)
(x2 + y 2 )2 (x2 + y 2)2
7
y
4 Riemann Surfaces
Let us continue to think about the interesting f (z) = z 3/2 example. Note
that if θ = 4π and r = , then z 3/2 = 3/2 ei6π = 3/2 , so we come back to
the θ = 0 value after two circuits. Thus z 3/2 is a double-valued function. We
may visualize this behavior via the use of Riemann surfaces, or sheets.
For z 3/2 , we have two sheets (Fig. 7).
The point z = 0 is called a branch point. Since there are only a finite
number of branches (2) for this function, the origin is called an algebraic
branch point.
For another example, the function f (z) = z 1/4 will have four branches,
see Table 2 and Fig. 8.
Now consider the function f (z) = ln z, defined by ef (z) = z:
f (z) = ln z = ln r + iθ. (42)
This function has an infinite number of branches. In this case, the point
z = 0 is called a logarithmic branch point.
We note a couple of things about branches:
• There may be many branch points for a function.
8
Figure 7: Two Riemann sheets for the double-valued function z 3/2 . The
lower sheet is for 0 ≤ θ < 2π, 4π ≤ θ < 6π, etc., and the top sheet is for
2π ≤ θ < 4π, etc. The branch cuts are indicated by the cuts in the planes.
θ eiθ/4
0 1
2π eiπ/2 = i
4π eiπ = −1
6π ei3π/2 = −i
8π ei2π = 1
• There are many ways to make branch cuts, but they can only terminate
at a branch point, they cannot intersect themselves, and they must have
the same form on all sheets.
9
Sheet
4
6π
3
4π
2
2π
1
0,8π
Figure 8: Four Riemann sheets for the quadruple-valued function z 1/4 . The
view is edge-on, with the branch cut at the transitions among the sheets.
y y y
-1 +1 x -1 +1 x -1 +1 x
√
Figure 9: Some possible choices of branch cuts for the function 1 − z2 .
10
and
∂2U ∂2U
+ = 2. (48)
∂x2 ∂y 2
Let us see what the Cauchy-Riemann equations imply for this quantity:
∂ ∂U ∂V
= (49)
∂x ∂x ∂y
∂ ∂U ∂V
= − . (50)
∂y ∂y ∂x
Therefore:
∂2U ∂2U
+ = 0, (51)
∂x2 ∂y 2
which may be recognized as Laplace’s Equation in two dimensions. Thus,
F (z) cannot be an analytic function; it does not possess a derivative, and
there exists no function with derivative x − iy. This suggests that we should
restrict consideration to functions which are analytic in the region of interest.
Referring to Fig. 10, let us consider the definite integral:
β
f (z)dz. (52)
α
y
β
11
a point on C between zj−1 and zj . Then we define the line integral along C
as: β n
f (z)dz = lim f (zj )Δj z, (54)
α n→∞
j=1
C
where we require the intervals to satisfy:
n
lim max |Δj z| = 0, (55)
n→∞ j=1
and the limit must exist, of course. Note that this definition is compatible
with the usual definition for real variables.
β = zn
z 'j zj
z j-1
α= z0
Figure 11: Dividing a path into intervals to obtain an approximate integral.
12
4. If γ is a point on C (between α and β), then
γ β β
f (z)dz + f (z)dz = f (z)dz. (59)
α γ α
C C C
Toward proving this, note that we can always arrange our subintervals
such that γ is a dividing point.
5. If M = maxβα |f (z)| (including the endpoints) then:
C
β
n
f (z)dz = n→∞
lim f (zj )Δj z
α j=1
C
n
≤ lim f (zj )Δj z (follows from triangle inequality)
n→∞
j=1
β
≤ M |dz| = MLC , (60)
α
C
where LC is the length of the integration path (in the usual Euclidean
sense).
6 Cauchy’s Theorem
If a function f (z) is analytic at all points on and inside a contour C, then
f (z)dz = 0. (61)
C
Note that by
“contour”, we mean a simple closed curve. We could also use
the notation to stress this. Our assertion is known as Cauchy’s Theorem.
Let us prove the theorem: Assume f (z) is analytic as stated. Write
f (z) = u(x, y) + iv(x, y). Then:
f (z) dz = (u + iv)(dx + idy)
C C
= (udx − vdy) + i (udy + vdx) (62)
C C
Let S stand for the region enclosed by contour C. Green’s theorem states
that, for functions α and β:
∂β ∂α
αdx + βdy = − dxdy. (63)
C S ∂x ∂y
13
C
S
Therefore,
∂v ∂u ∂u ∂v
f (z) dz = − + dxdy + i − dxdy
C S ∂x ∂y S ∂x ∂y
= 0, by the Cauchy-Riemann relations. (64)
Cauchy’s theorem tells us that the integral of an analytic function is
path-independent in a domain of analyticity:
β β
f (z) dz = f (z) dz
α C α C
β
= f (z) dz, (65)
α
α C
Note that the way we have stated Cauchy’s theorem, it holds for func-
tions which have singularities, provided our contours do not “encircle” the
singularities:
14
C2
C1
(a) (b)
Figure 14: (a) C1 +C2 f (z) dz = 0, where C2 encircles a singularity, but the
“contour” C1 + C2 does not. Integrals along the portions joining C1 and C2
cancel out. (b) A branch cut may be chosen for convenience, so that the
contour does not cross it.
depends only on z and z0 (and not the path), as long as the path is entirely
in D.
What is F (z) = dF
dz
(z) (for z ∈ D)?
F (z + Δz) − F (z) 1 z+Δz z
= f (z )dz − f (z ) dz
Δz Δz z0 z0
z+Δz
1
= f (z )dz
Δz z
z+Δz
1
= f (z) + [f (z ) − f (z)] dz . (67)
Δz z
The last integral is path independent in D, so chose for path the straight
line segment joining z and z + Δz (noting that, for Δz small enough, such
a path must exist). Thus, by the continuity of f (z), given an > 0, we can
always find |Δz| small enough such that |f (z ) − f (z)| < for any z on the
path. Thus,
z+Δz
[f (z ) − f (z)] dz < |Δz|. (68)
z
15
Therefore,
d z
F (z) = f (z ) dz = f (z). (70)
dz z0
The indefinite integral of an analytic function is an analytic function.
It is important, when performing integrations, to be careful about sin-
gularities and regions of non-analyticity. For example, consider the integral
1 1
−1 z dz. We might try an integration path along a semi-circle in the positive
y plane – 1/z is analytic there.
iθ
e -1 +1
-1 +1 x x
(a) (b)
The two answers are different! The path-dependence is a result of the fact
that we have chosen paths which lie in different simply-connected domains
of analyticity. There is a branch cut from the origin, a singular point. Note
that, while 1/z is not multi-valued, its integral (ln z) is.
16
f (z)
where C is contained in D, and z0 is interior to C. Thus, z−z 0
is analytic
everywhere on and inside C, except at the point z = z0 . The integral is
unchanged if we deform the contour to the circle C0 with center at z0 :
C
C0
z0
f (z) f (z)
dz = dz
C z − z0 C0 z − z0
f (z0 ) f (z) − f (z0 )
= dz + dz. (74)
C0 z − z0 C0 z − z0
Consider the second of the two integrals in the above expression:
f (z) − f (z0 ) |f (z) − f (z0 )|
dz ≤ |dz|. (75)
C0 z − z0 C0 |z − z0 |
17
integral does not depend on the radius of the circle. Thus,
f (z) − f (z0 )
dz ≤ |dz|
C0 z − z0 δ Cδ
≤ 2π. (76)
The integral is smaller than any positive number, i.e., is equal to zero. There-
fore,
f (z) dz
dz = f (z0 )
C0 z − z0 C0 z − z0
2π
ireiθ dθ
= f (z0 ) (letting z − z0 = reiθ )
0 reiθ
= 2πif (z0 ). (77)
We have derived Cauchy’s Integral Formula: For any function f (z) which
is analytic on and inside the contour C,
1 f (z)
f (z0 ) = dz. (78)
2πi C z − z0
Note that the Cauchy integral formula tells us that if we know the value of a
function everywhere along a closed contour, then we know its value at every
point inside the contour, provided the function is analytic on and inside the
contour.
18
If f (z) is analytic, we know its derivative exists:
f (z + h) − f (z)
f (z) = lim
h
h→0
1 f (z ) dz f (z ) dz
= lim −
h→0 2πih C z − z − h C z − z
1 f (z ) dz
= lim (83)
2πi h→0 C (z − z − h)(z − z)
Adding and subtracting f (z )/(z − z)2 to the integrand, we obtain:
1 f (z ) dz h f (z ) dz
f (z) = + lim . (84)
2πi C (z − z)
2 h→0 2πi C (z − z − h)(z − z)2
By assumption, f (z ) is continuous on C, hence it is bounded. Likewise, (z −
z)−2 is bounded on C. Furthermore, take h < minC 21 |z − z|, guaranteeing
that |z − z − h| > 0. Therefore,
f (z )
≤ K < ∞, (85)
(z − z)2 (z − z − h)
i.e., the integrand is bounded for z on C by some finite number K. Then,
h f (z ) dz K
lim ≤ lim |h|LC = 0, (86)
h→0 2πi C (z − z − h)(z − z)
2 2π h→0
where LC is the length of contour C. Hence,
1 f (z )
f (z) = dz , (87)
2πi C (z − z)2
as desired.
Then we may similarly consider:
f (z + h) − f (z) 1 1 1
lim = lim f (z ) dz −
h→0 h h→0 2πih C (z − z − h)
2 (z − z)2
1 2(z − z − h/2)
= lim f (z ) dz
h→0 2πi C (z − z)2 (z − z − h)2
2 f (z )
= dz + lim hAh , (88)
2πi C (z − z)3 h→0
19
The same argument may be continued indefinitely, since the integral repre-
sentation has f (z), which we know is continuous, hence bounded. Thus, we
have established the result for the nth derivative:
(n) n! f (z )
f = dz , (90)
2πi C (z − z)
n+1
as hoped.
9 Taylor Series
Let f (z) be analytic in domain D with z0 ∈ D, and circle C ⊂ D centered
at z0 [hence, f (z) is analytic within and on C]. Let z = z0 + h be interior to
C. Then, use Cauchy’s integral:
1 f (z ) dz
f (z) = f (z0 + h) =
2πi C z − z0 − h
1 1 h
= f (z ) dz + +···
2πi C z − z0 (z − z0 )2
hn hn+1
+ + , (93)
(z − z0 )n+1 (z − z0 )n+1 (z − z0 − h)
20
R
z0 z
C
D
Figure 17: Illustration for Taylor series discussion.
Comparing, we have:
(1)h2 2 hn (n)
f (z) = f (z0 ) + hf (z0 ) + f (z0 ) + · · · + f (z0 ) (96)
2 n!
hn+1 f (z ) dz
+ .
2πi C (z − z0 )n+1 (z − z0 − h)
Thus, we have
n
f ( k)(z0 )
f (z) = (z − z0 )k + Rn , (97)
k=0 k!
21
where
(z − z0 )n+1 f (z ) dz
Rn = . (98)
2πi C (z − z0 )n+1 (z − z)
We see that term by term this is the same form as the Taylor series expansion
for a real function of a real variable.
Let us investigate the remainder term, Rn . In particular, how big is it?
We first notice that f (z ) and 1/|z − z| are continuous, hence bounded, on
C:
f (z )
≤ M, z ∈ C, z inside C. (99)
z − z
M 1
≤ |z − z0 |n+1 n+1 2πR
2π R
z − z0 n+1
≤ MR . (100)
R
Since z−z
R
0
< 1, we can approximate f (z) to any desired accuracy with our
finite Taylor series expansion.
10 Bolzano-Weierstrass Theorem
We wish to consider infinite series next, which means we must concern our-
selves with issues of convergence. Let us begin with sequences. Given any
sequence of complex numbers, z1 , z2 , . . . ≡ {zn }, we say that the sequence
{zn } tends to the limit L as n → ∞:
lim zn = L,
n→∞
(101)
if, for every > 0, there exists N such that |zN +k − L| < for all positive
integers k. If {zn } is such that for any real number G, we can find N so that
|zN +k | > G for all positive intergers k, then we say that |zn | tends to ∞ as
n → ∞.
Finally, if a sequence does not tend to a unique limit, and does not tend
to plus or minus infinity, then the sequence is said to oscillate.
22
For example, 1 is a limit point for the sequence 1 + 1/n (even though 1 is
not an element of the sequence). For another example, 1 is a limit point for
the sequence 1, 2, 1, 2, 1, 2, 1, 2, . . .
Proof: Let G be a real number such that G > |a|, G > |b|. Then, G > |xn |
for all n. Consider the interval I0 = (−G, G). Cut it in half (say, to
(−G, 0) and [0, G)): At least one subinterval must contain an infinite
number of members of the sequence {xn }. Call the rightmost such
interval I1 . Now cut I1 in half. Again, at least one subinterval must
contain an infinite number of members of the sequence {xn }. Call the
rightmost such interval I2 . We may continue this interval subdivision
indefinitely, making our interval as small as we please. In the nested set
of intervals I1 , I2 , I3 , . . . there exists a point L which belongs to all the
intervals of the nest. Choose k sufficiently large such that the length
of Ik is less than any given > 0. Then if {xn }k is the infinite set of
members of {xn } which lies in Ik , we have that |xn − L| < for all
members of {xn }k . Hence L is a limit point of the sequence.
23
Sufficiency: We suppose that given an > 0 there exists an N such
that |zN +k − zN | < for all positive integers k. But the hypoteneuse
of a triangle is longer than either other leg, and hence:
> |zN +k − zN | ≥ |xN +k − xN | (103)
≥ |yN +k − yN |. (104)
Thus, we may consider a real sequence {xn } which satisfies the Cauchy
condition. Consider = 1, and pick an N = M such that:
|xM +k − xM | < 1 ∀k = 1, 2, 3, . . . (105)
Let a1 , b1 be the least and greatest values, respectively, of the finite
sequence x1 , x2 , . . . , xM . Let a = a1 −1 and b = b1 +1. Then a < xn < b
for all n. By the Bolzano-Weierstrass theorem, {xn } has at least one
limit point, G.
Now we must demonstrate that there is only one limit point: Suppose
there are at least two, G and H. Then, given > 0, there exists an
n such that |xn+p − xn | < , by hypothesis, and there exists positive
integers q and r such that |G − xn+q | < and |H − xn+r | < , since G
and H are limit points. Thus,
|G − H| = |G − xn+q + xn+q − xn + xn − xn+r + xn+r − H|
≤ |G − xn+q | + |xn+q − xn | + |xn+r − xn | + |H − xn+r |
< 4. (106)
Hence G=H, and there is only one limit point. Thus, given δ > 0,
there are at most a finite number of terms of the sequence outside the
interval (G − δ, G + δ), so G is the limit of {xn }.
Similarly, the imaginary part sequence has a limit, hence {zn } has
a limit [noting that if limn→∞ zn = L, and limn→∞ zn = L , then
limn→∞ (zn + zn ) = L + L ].
12 Infinite Series
Given a sequence {un }, we can construct a sequence:
S0 = u 0 (107)
S1 = u0 + u1 (108)
..
.
n
Sn = uk . (109)
k=0
24
These are the “partial sums” of the infinite series:
∞
S= uk . (110)
k=0
The infinite series is said to converge if, given > 0 there exists S and
n0 such that:
|S − Sn | < , ∀n > n0 . (111)
If the series ∞ n=0 un converges: It is said to be absolutely convergent if
∞
n=0 |un | converges; otherwise it is conditionally convergent. Note that an
absolutely convergent series may be rearranged at will, with identical results,
but this doesn’t hold for a conditionally convergent series.
We give some tests for convergence, leaving the proofs to the reader:
1. Cauchy Integral test for convergence: If f (x) is a positive, real,
decreasing function of x for real x ≥ 1, then the series S = ∞n=1 f (n)
converges or diverges, depending on whether the integral
n
lim
n→∞
f (x)dx (112)
1
converges or diverges.
∞
2. Comparison test for absolute convergence: S = n=0 un is absolutely
convergent if
|un | < c|vn |, ∀n > N, (113)
∞
c is independent of n, and n=0 vn is known to be absolutely convergent.
3. d’Alembert’s ratio test for absolute convergence: ∞ n=0 un converges
absolutely if
un+1
limn→∞ < 1, (114)
un
where lim is the “limit superior”, or least upper bound of all convergent
subsequences of {un }. The sum diverges if
un+1
limn→∞ > 1. (115)
un
4. Raabe’s test for absolute convergence: If
un+1
lim = 1, (116)
n→∞ u
n
and
un+1
limn→∞ n −1 < −1, (117)
un
∞
then n=0 un converges absolutely.
25
5. Cauchy’s test for absolute convergence: If
13 Series of Functions
If the terms of an infinite series are functions of complex variable z, then the
series may converge or not, depending on the value of z. We are interested
in the region of convergence of such a series. We are also interested in
continuity, integrability, and differentiability of such a series (especially of
analytic functions, including power series).
N
If S(z) = ∞ n=0 un (z) and SN (z) = n=0 un (z), then S(z) is said to be
uniformly convergent over the set of points {z|z ∈ R} = R if, given any
> 0, there exists an N such that:
26
We see that S(x) converges absolutely for all real x, since:
N
x2
SN (x) = 2 n
(123)
n=0 (1 + x )
0 if x = 0,
= 1 + x2 − (1+x12 )N
0.
if x = (124)
27
We may also be concerned with the question of multiplication of series. If
two series are absolutely convergent, then the series formed of product terms
is absolutely convergent independent of order, and the product series is equal
to the product of the individual series.
Next, let us consider the integration of a series:
Theorem: Let S(z) = ∞ n=0 be a uniformly convergent series of continuous
functions in a domain D. Then, if C ⊂ D, where C is a finite path in
D, we have:
∞
S(z)dz = un (z)dz. (130)
C n=0 C
Since S(z) is uniformly convergent, for any given > 0, there exists
an N such that Rn (z) < for all n ≥ N and all z ∈ D. Now, if
LC = C |dz| < ∞ is the “path length”, then
Rn (z)dz < LC , ∀n ≥ N. (132)
C
Hence,
n
S(z)dz − uk (z)dz < LC , ∀n ≥ N, (133)
C C
k=0
28
Proof: Let z0 be a point inside C.
1 S(z)dz 1 ∞
dz
= un (z)
2πi C z − z0 2πi C n=0 z − z0
1 n
uk (z)
Rn (z)
= dz + dz
2πi C k=0 z − z0 C z − z0
n
1 Rn (z)
= uk (z0 ) + dz. (135)
k=0 2πi C z − z0
Let us now turn to the special case of power series, of which the Taylor
series is an important example.
29
Theorem: If S(z) = ∞ n
n=0 an z converges for z = z1 , then it is absolutely
convergent for all |z| < |z1 |.
Proof: Since the series converges for z = z1 , an z1n must be bounded: |an z1n | <
M for all n. Pick any z such that |z| < |z1 |. Let r = |z|/|z1 | < 1. Then
z n
|an z | =
n
|an z1n | n
< Mr , (140)
z1
and ∞ ∞ ∞
|an z n | < Mr n = M rn . (141)
n=0 n=0 n=0
circle |z − z0 | = r0 , then the series is the Taylor series for S(z) (about
z0 ).
30
z
C1
z0×
C2
14 Laurent Series
We now introduce a generalizaton of the Taylor series, the Laurent series.
Consider a function f (z) which is analytic in a region containing two con-
centric circles (but not necessarily in the interior of the smaller circle).
“Contour” C2 −C1 (Fig. 18 represents a closed path in a “simply-connected”
domain, so we can use the Cauchy Integral Formula (for z in the annulus):
1 f (z ) 1 f (z )
f (z) = dz − dz . (143)
2πi C2 z −z
2πi C1 z − z
Now,
1 1 1
= · . (144)
z −z z − z0 1 − (z − z0 )/(z − z0 )
For z on C2 , z in the annulus, and with z0 the center of the circles, |(z −
z0 )/(z − z0 )| < 1. We may thus write, for z on C2 :
∞
1 (z − z0 )n
= . (145)
z − z n=0 (z − z0 )n+1
Similarly, for z on C1 :
∞
1 (z − z0 )n
− = . (146)
z − z n=0 (z − z0 )n+1
31
Putting this back into 143:
∞
(z − z0 )n f (z ) 1 1
f (z) = dz − n
(z − z0 ) f (z ) dz .
n=0 2πi C2 (z − z0 )
n+1 2πi (z − z0 )n+1 C1
(147)
Thus, we can write:
∞
∞
1
f (z) = an (z − z0 ) +
n
bn , (148)
n=0 n=1 (z − z0 )n
where:
1 f (z )
an = dz , n = 0, 1, 2, . . . (149)
2πi C2 (z − z0 )
n+1
1 f (z )
bn = dz , n = 1, 2, . . . (150)
2πi C1 (z − z0 )
−n+1
where,
1 f (z )
An = dz , (152)
2πi C (z − z0 )n+1
where C is any contour which makes one counter-clockwise passage around
z0 , and lies in the region bounded by C1 and C2 . This is called the Laurent
series.
If we express f (z) = φ(z) + ψ(z), where
∞
φ(z) = An (z − z0 )n , (153)
n=0
∞
ψ(z) = A−n (z − z0 )−n , (154)
n=1
then ψ(z) is called the principal part of f (z). Note that φ(z) converges
uniformly in any closed region interior to the outer edge of the annulus.
Hence, f (z) = φ(z) + ψ(z) converges uniformly in any closed region within
the annulus.
If z = z0 is a singularity of f (z), and there exists a neighborhood of z0
which contains no other singularity, then z0 is called an isolated singularity
of f (z). For example, z = 1 is an isolated singularity of f (z) = 1/(z − 1). If
32
all the coefficients of the principal part vanish, then an isolated singularity z0
is called a removable singularity. For example, the origin is a removable
singularity of f (z) = sin z/z. The singularity in this case may be “removed”
by defining
sin z
f (0) ≡ lim = 1. (155)
z→0 z
A−m
= 0, (156)
A−(m+k) = 0, ∀k = 1, 2, 3, . . . , (157)
lim (z − z0 )n f (z), n = 1, 2, 3, . . .
z→z0
(158)
The lowest n for which the limit exists is the order of the pole at z0 .
15 Residues
Consider the integral:
In = (z − z0 )n dz, (159)
C
where C is a closed contour surrounding z = z0 and n is an integer. Since
(z − z0 )n is analytic, except possibly at z0 , we may deform the contour into a
circle centered at z0 without affecting In . Then we may write z − z0 = Reiθ ,
and hence
2π
n+1
In = iR ei(n+1)θ dθ. (160)
0
0 n
= −1
= . (161)
2πi n = −1
33
Now suppose we have a function, f (z), which is analytic in a region except
at the point z0 in the region. Then we can make the Laurent expansion about
z0 :
∞
f (z) = An (z − z0 )n . (162)
n=−∞
= A−1 . (164)
× ×
b a Ca
Cb
×
c Cc
We want to determine C f (z) dz. We can write this in terms of the sum
of the integrals around each singularity:
f (z) dz = f (z) dz + f (z) dz + · · ·
C Ca Cb
34
= 2πi(a−1 + b−1 + c−1 + · · ·)
= 2πi R, (165)
singularities
where a−1 , b−1 , c−1 , . . . are the residues at a, b, c, . . ., respectively, and R is
the sum of the residues of f (z) interior to the countour C.
The computation of the residues is thus often an important part of eval-
uating integrals. At a simple pole, the Laurent series is
∞
A−1
f (z) = + An (z − z0 )n , (166)
z − z0 n=0
and hence
A−1 = lim [(z − z0 )f (z)] . (167)
z→z0
For a pole of order m,
∞
A−m A−m+1 A−1
f (z) = + + · · · + + An (z − z0 )n . (168)
(z − z0 )m (z − z0 )m−1 z − z0 n=0
If we multiply both sides by (z − z0 )m , we have:
∞
(z−z0 )m f (z) = A−m +A−m+1 (z−z0 )+· · ·+A−1 (z−z0 )m−1 + An (z−z0 )n+m .
n=0
(169)
Now differentiate m − 1 times and evaluate at z = z0 :
dm−1 [(z − z0 )m f (z)]
= (m − 1)!A−1 , (170)
dz m−1 z=z0
and hence,
1 dm−1 [(z − z0 )m f (z)]
A−1 = . (171)
(m − 1)! dz m−1 z=z0
But sometimes it is easier to just carry out the expansion sufficiently to find
A−1 directly.
where α < x0 < β. This is known as the Cauchy Principal Value Inte-
gral.
35
Hilbert Spaces
Physics 195
Supplementary Notes
020922 F. Porter
These notes collect and remind you of several definitions, connected with the
notion of a Hilbert space.
Def: A (nonempty) set V is called a (complex) linear (or vector) space,
and its elements are called vectors if:
(a) An operation of “addition” is defined for every pair of elements
x V and y V , such that the “sum” x + y V .
(b) There exists a “zero vector,” 0 V such that
x+0=x for all x V
(c) An operation of “multiplication” by a complex number (“scalar”)
is defined so that, if c is any complex number, and x any vector
in V , then the “product” cx V .
(d) The following properties (of ordinary vector algebra) are satisfied:
(x, y, and z are any elements of V , and c, c1 , and c2 are any
complex numbers)
x+y =y+x 1) commutativity
(x + y) + z = x + (y + z) 2) associativity
c1 (c2 x) = (c1 c2 )x
x + (−x) = 0 3) inverse
1x = x 4) multiplication by scalar 1
(c1 + c2 )x = c1 x + c2 x 5) distributivity
c(x + y) = cx + cy.
If we restrict to real scalars, we have a “real vector space.” Note that the
0 element is unique by virtue of the fact that the vectors under the operation
of addition form an abelian group.
Def: m vectors x(1) , x(2) , · · · , x(m) are linearly dependent if there exist m
constants, not all zero, such that
m
ci x(i) = 0
i=1
Otherwise, the vectors are linearly independent.
1
Def: A linear space V is n-dimensional if it contains a set of n linearly
independent vectors, but no set of more than n linearly independent
vectors.
x = c1 (x)e1 + c2 (x)e2 + · · ·
Def: A function is a relation such that no two distinct members have the
same first coordinate. (To a mathematician, the following terms are
really synonymous: function, map, operator, transformation, corre-
spondence).
1. x|x ≥ 0; x|x = 0 iff x = 0
2. x|y = y|x
2. d(x, y) = 0 iff x = y
3. d(x, y) = d(y, x)
2
Note that a metric space need not be a linear space. However, if we have
a pre-Hilbert space, we may define a suitable distance according to:
d(x, y) = (x − y)|(x − y)
We will typically deal only with metric spaces which are also pre-Hilbert
spaces. We will also use the notation
|x − y| = d(x, y)
for the distance function. We will furthermore define the “length,” or “norm,”
of a vector by its distance from the zero vector: |x| = |x − 0| = d(x, 0) =
x|x. Also, if x|y = 0, we say that x is “orthogonal” to y.
Def: A sequence of elements in a metric space, x1 , x2 , · · · is said to converge
to an element x if, given > 0, there exists a number N such that:
|x − xn | < whenever n > N. In this case, we write x = limn→∞ xn .
QED
3
Def: A metric space (V, d) is said to be complete if every Cauchy sequence
of points in V converges to a point in V .
Note that this theorem tells us that every pre-Hilbert space admits a
completion, which we call a Hilbert space. If we wish to continue this
discussion, for example to construct a suitable Hilbert space of functions for
quantum mechanical problems, we will properly need to consider measure
theory, etc. However, let us turn our attention now to other matters.
Def: Suppose that we have two vector spaces, V and V , and that there
exists a correspondence which assigns to every vector x DA ⊂ V , a
vector x V . We say that this correspondence defines an operator A
from V into V with domain DA , and write x = Ax.
4
Ax = Bx for all x DA
If, on the other hand, DB is a proper subset of DA , and Ax = Bx for all
x DB , we call A an extension of B, and B a restriction of A. We may
denote this by writing B ⊂ A.
5
Physics 195
Supplementary Notes
Groups, Lie algebras, and Lie groups
020922 F. Porter
This note defines some mathematical structures which are useful in the
discussion of angular momentum in quantum mechanics (among other things).
Def: A pair (G, ◦), where G is a non-empty set, and ◦ is a binary operation
defined on G, is called a group if:
1. Closure: If a, b ∈ G, then a ◦ b ∈ G.
2. Associativity: If a, b, c ∈ G, then a ◦ (b ◦ c) = (a ◦ b) ◦ c.
3. Existence of right identity: There exists an element e ∈ G such
that a ◦ e = a for all a ∈ G.
4. Existence of right inverse: For some right identity e, and for any
a ∈ G, there exists an element a−1 ∈ G such that a ◦ a−1 = e.
The ◦ operation is typically referred to as “multiplication”.
The above may be termed a “minimal” definition of a group. It is amusing
(and useful) to prove that:
1. The right identity element is unique.
2. The right inverse element of any element is unique.
3. The right identity is also a left identity.
4. The right inverse is also a left inverse.
5. The solution for x ∈ G to the equation a ◦ x = b exists and is unique,
for any a, b ∈ G.
We will usually drop the explicit ◦ symbol, and merely use juxtaposition to
denote group multiplication. Note that both G (the set) and ◦ (the “mul-
tiplication table”) must be specified in order to specify a group. Where the
operation is clear, we will usually just refer to “G” as a group.
Def: An abelian (or commutative) group is one for which the multiplica-
tion is commutative:
ab = ba ∀ a, b ∈ G. (1)
1
Def: The order of a group is the number of elements in the set G. If this
number is infinite, we say it is an “infinite group”.
a ◦ (b + c) = a ◦ b + a ◦ c (2)
and
(b + c) ◦ a = b ◦ a + c ◦ a (3)
Conventions:
We use 0 (“zero”) to denote the identity of R, + . We speak of (+) as ad-
dition and of (◦) as multiplication, typically omitting the (◦) symbol entirely
(i.e., ab ≡ a ◦ b).
Def: An abelian group V, ⊕ is called a vector space over a field F, +, ◦
by a scalar multiplication (∗) if for all a, b ∈ F and v, w ∈ V :
1. a ∗ (v ⊕ w) = (a ∗ v) ⊕ (a ∗ w) distributivity
2. (a + b) ∗ v = (a ∗ v) ⊕ (b ∗ v) distributivity
3. (a ◦ b) ∗ v = a ∗ (b ∗ v) associativity
4. 1 ∗ v = v unit element (1 ∈ F )
2
Conventions:
We typically refer to elements of V as “vectors” and elements of F as
“scalars.” We typically use the symbol + for addition both of vectors and
scalars. We also generally omit the ∗ and ◦ multiplication symbols. Note
that this definition is an abstraction of the definition of vector space given
in the note on Hilbert spaces, page 1.
(Once again, we often omit the multiplication sign, and hope that it is
clear from context which quantities are scalars and which are vectors.)
We are interested in the following types of algebras:
We note that an associative algebra is, in fact, a ring. Note also that
the multiplication of vectors is not necessarily commutative. An important
non-associative algebra is:
1. Anticommutivity: u ◦ v = −v ◦ u.
2. Jacobi Identity: u ◦ (v ◦ w) + w ◦ (u ◦ v) + v ◦ (w ◦ u) = 0.
3
We require that, at most, a finite number of coefficients ai are non-zero. The
multiplication of two vectors is then given by:
ai gi bj gj = ai bj gk
gi gj =gk
[Since only a finite number of the ai bj can be non-zero, the sum gi gj =gk ai bj
presents no problem, and furthermore, we will have closure under multipli-
cation.]
Since group multiplication is associative, our group algebra, as we have
constructed it, is an associative algebra.
4
Physics 195a
Problem set number 1
Due 2 PM, Thursday, October 10, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
READING: Read the “Preliminaries” course note. Read sections 1,2, and
3 of the “Ideas of Quantum Mechanics” course note.
PROBLEMS:
0. Tell me all the typos and other errors in the course notes. I’ll at least
be grateful, and if you find enough issues of substance, I’ll add bonus
points to your total score.
1
4. Hilbert space: Exercise 3 in the “Ideas of Quantum Mechanics” course
note.
2
Physics 195a
Problem set number 2
Due 2 PM, Thursday, October 17, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
(a) If you have never gone through a proof of the Schwarz inequality
before, do it now! Otherwise, you may write “been there, done
that”, and receive credit.
(b) Exercise 5 in the “Ideas of Quantum Mechanics” course note.
3
9. Tidying up the Ahronov-Bohm discussion: Exercise 1 in the “Path
Integrals: An Example” course note.
4
Physics 195a
Problem set number 3
Due 2 PM, Thursday, October 24, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
5
15. Application of the uncertainty principle: Exercise 14 of the “Ideas of
Quantum Mechanics” course note.
6
Physics 195a
Problem set number 4
Due 2 PM, Thursday, October 31, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• Collaboration policy: OK to work together in small groups, and to help
with each other’s understanding. Best to first give problems a good try
by yourself. Don’t just copy someone else’s work – whatever you turn
in should be what you think you understand.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
• TA: Anura Abeyesinghe, anura@caltech.edu
• If you think a problem is completely trivial (and hence a waste of your
time), you don’t have to do it. Just write “trivial” where your solution
would go, and you will get credit for it. Of course, this means you are
volunteering to help the rest of the class understand it, if they don’t
find it so simple. . .
18. Let us try another example of the discussion we have been having in
class concerning the use of the uncertainty relation on “localized” wave
functions. Consider the three dimensional generalization. Hence, let
P (a) be the proability to find the particle, of mass m in a sphere of
radius a centered at the origin.
(a) Recall that in the one dimensional case, if the probability of finding
the particle in the interval (−a, a) was α, then a simple lower
bound on the kinetic energy was obtained as:
1 α2
T ≥ . (1)
8m a2
7
Make a simple, but rigorous, generalization of this result to the
three dimensional case. Don’t worry about finding the “best”
bound; even a “conservative” bound may be good enough to an-
swer some questions of interest.
(b) We know that an atomic size is of order 10−10 m. Suppose that
we have an electron which is known to be in a sphere of radius
10−10 m with 50% probability. What lower bound can you put on
its kinetic energy? Is the result consistent with expectation; e.g.,
with what you know about the kinetic energy of the electron in
hydrogen?
(c) In ancient times, before the neutron was discovered, it was sup-
posed that the nucleus contained both electrons and protons. A
comfortable nuclear size is 5 × 10−15 m. Find a lower bound on
the kinetic energy of an electron if the probability to be within
this radius is 90%. If there is a problem with the validity of your
bound, see if you can fix it.
(d) Now find a lower bound for a proton in the nucleus, if it has a
probability of 90% to be within a region of radius 5 × 10−15 m.
19. Some more thoughts about time reversal: Exercise 13 of the “Ideas of
Quantum Mechanics” course note.
20. The von Neumann mixing theorem: Exercise 3 of the “Density Matrix
Formalism” course note.
23. Measuring the density matrix: Exercise 6 of the “Density Matrix For-
malism” course note.
8
Physics 195a
Problem set number 4 – Solution to Problem 18
Due 2 PM, Thursday, October 31, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• Collaboration policy: OK to work together in small groups, and to help
with each other’s understanding. Best to first give problems a good try
by yourself. Don’t just copy someone else’s work – whatever you turn
in should be what you think you understand.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
• TA: Anura Abeyesinghe, anura@caltech.edu
• If you think a problem is completely trivial (and hence a waste of your
time), you don’t have to do it. Just write “trivial” where your solution
would go, and you will get credit for it. Of course, this means you are
volunteering to help the rest of the class understand it, if they don’t
find it so simple. . .
18. Let us try another example of the discussion we have been having in
class concerning the use of the uncertainty relation on “localized” wave
functions. Consider the three dimensional generalization. Hence, let
P (a) be the proability to find the particle, of mass m in a sphere of
radius a centered at the origin.
(a) Recall that in the one dimensional case, if the probability of finding
the particle in the interval (−a, a) was α, then a simple lower
bound on the kinetic energy was obtained as:
1 α2
T ≥ . (1)
8m a2
7
Make a simple, but rigorous, generalization of this result to the
three dimensional case. Don’t worry about finding the “best”
bound; even a “conservative” bound may be good enough to an-
swer some questions of interest.
Solution: The limit on T in Eqn. 1 corresponds to a limit on the
momentum of
1 α2
p2 ≥ . (2)
4 a2
In three dimensions the kinetic energy is
1 2
T = p + p2y + p2z . (3)
2m x
If the probability to find the particle within radius a is P (a), then
in each dimension we certainly have that the probability to be in
the interval (−a, a) is at least P (a). Thus, we can apply Eqn. 2
in each dimension, and hence, in sum:
3 P (a)2
T ≥ . (4)
8m a2
8
the kinetic energy of an electron if the probability to be within
this radius is 90%. If there is a problem with the validity of your
bound, see if you can fix it.
Solution:
3 (200 MeV-fm)2
T ≥ (0.9)2
8 0.5 MeV25 × 10−30 m2
≥ 4 GeV. (6)
The electron is relativistic, inconsistent with our assumption in
computing the kinetic energy with a non-relativistic equation. Our
derivation that p2 ≥ 1/4a2 in the one-dimensional case should
still be valid. The relativistic kinetic energy is T = E −m ≈ |p|,
where the approximationis in the limit E m. Let’s presume
we can estimate T with p2 . Then
√
3
T ≥
2a
200 MeV-fm
≥ = 40 MeV. (7)
5 fm
Let’s compare this with an estimated order of magnitude for the
electrostatic potential energy of an electron and a proton sepa-
rated by 5 fm:
e2 200 MeV-fm
|V | = ≈ = 0.4 MeV (8)
a 100 × 5 fm
This is much smaller than our limit on the kinetic energy, pre-
senting a theoretical problem with binding and with expectations
from the virial theorem.
(d) Now find a lower bound for a proton in the nucleus, if it has a
probability of 90% to be within a region of radius 5 × 10−15 m.
Solution:
3 (200 MeV-fm)2
T ≥ (0.9)2
8 900 MeV25 × 10−30 m2
≥ 0.5 MeV. (9)
19. Some more thoughts about time reversal: Exercise 13 of the “Ideas of
Quantum Mechanics” course note.
9
20. The von Neumann mixing theorem: Exercise 3 of the “Density Matrix
Formalism” course note.
23. Measuring the density matrix: Exercise 6 of the “Density Matrix For-
malism” course note.
10
Physics 195a
Problem set number 5
Due 2 PM, Thursday, November 7, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
11
(a) Is ρ a permissible density matrix? Give your reasoning. For the
remainder of this problem, assume that it is permissible. Does it
describe a pure or mixed state? Give your reasoning.
(b) Given the ensemble described by ρ, what is the average value of
Jz ?
(c) What is the spread (standard deviation) in measured values of Jz ?
25. Coherent states with density matrices: Exercise 7 of the “Density Ma-
trix Formalism” course note.
26. Density matrix for a spin 1/2 system in a magnetic field: Exercise 8 of
the “Density Matrix Formalism” course note.
27. Entropy for a system of spin 1/2 particles in a magnetic field: Exercise
9 of the “Density Matrix Formalism” course note.
(a) Write down the Hamiltonian for this system. Show that it may be
transformed to a description in terms of center-of-mass and rela-
tive coordinates. Show that the problem then reduces to two prob-
lems: one for the center-of-mass motion, and one for the relative
motion, if the potential can be separated into a term depending
only on the position of the center-of-mass, plus a term depending
only on the relative locations of the particles. Now assume that
the potential does not depend on the center-of-mass position, and
solve for the center-of-mass motion. Is your solution sensible?
12
(b) Suppose V is a function of the separation between the two particles
only, V = V (|x|), where x ≡ x1 − x2 . Solve the Schrödinger equa-
tion for the angular dependence and show that the Schrödinger
equation may be reduced to an equivalent one dimensional prob-
lem. Give the “effective potential” for this equivalent one dimen-
sional problem.
13
Physics 195a
Problem set number 5 – Solutions to Problems 24 and 29
Due 2 PM, Thursday, November 7, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
11
(a) Is ρ a permissible density matrix? Give your reasoning. For the
remainder of this problem, assume that it is permissible. Does it
describe a pure or mixed state? Give your reasoning.
Solution: Clearly ρ is hermitian. It is also trace one. This is
almost sufficient for ρ to be a valid density matrix. We can see
this by noting that, given a hermitian matrix, we can make a
transformation of basis to one in which ρ is diagonal. Such a
transformation preserves the trace. In this diagonal basis, ρ is of
the form:
ρ = a|e1 e1 | + b|e2 e2 | + c|e3 e3 |,
where a, b, c are real numbers such that a + b + c = 1. This is
clearly in the form of a density operator. Another way of arguing
this is to consider the n-term dyad representation for a hermitian
matrix.
However, we must also have that ρ is positive, in the sense that
a, b, c cannot be negative. Otherwise, we would interpret some
probabilities as negative. There are various ways to check this.
For example, we can check that the expectation value of ρ with
respect to any state is not negative. Thus, let an arbitrary state
be: |ψ = (α, β, γ). Then
12
Solution: We are working in a diagonal basis for Jz :
1 0 0
Jz = 0 0 0
.
0 0 −1
26. Density matrix for a spin 1/2 system in a magnetic field: Exercise 8 of
the “Density Matrix Formalism” course note.
27. Entropy for a system of spin 1/2 particles in a magnetic field: Exercise
9 of the “Density Matrix Formalism” course note.
13
(a) Write down the Hamiltonian for this system. Show that it may be
transformed to a description in terms of center-of-mass and rela-
tive coordinates. Show that the problem then reduces to two prob-
lems: one for the center-of-mass motion, and one for the relative
motion, if the potential can be separated into a term depending
only on the position of the center-of-mass, plus a term depending
only on the relative locations of the particles. Now assume that
the potential does not depend on the center-of-mass position, and
solve for the center-of-mass motion. Is your solution sensible?
Solution: Let pi = −i∇i denote the momentum of particle i,
with magnitude pi . The Hamiltonian is:
p21 p2 ∇2 ∇2
H= + 2 + V (x1 , x2 ) = − 1 − 2 + V (x1 , x2 ) (12)
2m1 2m2 2m1 2m2
M = m1 + m2 (13)
m1 x1 + m2 x2
X = (14)
M
P = M Ẋ = p1 + p2 . (15)
14
Then the Hamiltonian can be written in terms of center-of-mass
and relative coordinates according to (letting P = |P| and p =
|p|):
P2 p2 m2 m1
H= + + V (X + x, X − x) (22)
2M 2m M M
Now let UT (X, x) = V (X + mM
2
x, X − m
M
1
x), and assume that it is
of the form:
UT (X, x) = UCM (X) + U(x). (23)
Let ∇CM be the gradient operator with respect to X, and ∇ be the
gradient with respect to x. Then we may write the Schrödinger
equation as:
∇2 ∇2
− CM − + UCM (X) + U(x) ψ(X, x) = Eψ(X, x). (24)
2M 2m
15
Solution: We have the Schrödinger equation for the relative mo-
tion (letting |x| ≡ r):
∇2
− + V (r) ψ(x) = Eψ(x). (29)
2m
16
Physics 195a
Problem set number 6
Due 2 PM, Thursday, November 14, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
READING: Read the “The Simple Harmonic Oscillator: Creation and De-
struction Operators” course note.
PROBLEMS:
14
33. One of the failings of classical mechanics is that matter should be
“unstable”. Let us investigate this in the following system: Consider
a system consisting of N particles with masses mk and charges qk ,
k = 1, 2, . . . , N, where we suppose some of the charges are positive and
some negative. The Hamiltonian of this multiparticle system is:
N
p2k qk qj
H= + ,
k=1 2mk N ≥j>k≥1 |xk − xj |
(a) Assume we have solved the equations of the motion, with solutions
xk = sk (t). Show that for any ω > 0 we can select a number c > 0
such that xk = csk (ωt) is also a solution of the equations of motion.
Remember, we are dealing with the classical equations of motion
here.
(b) Find scaling laws relating the total energy, total momentum, to-
tal angular momentum, position of an individual particle, and
momentum of an individual particle for the original sk (t) solution
and the scaled csk (ωt) solution. The only parameter in your scal-
ing laws should be ω. Make sure that any time dependence is
clearly stated.
(c) Hence, draw the final conclusion that there does not exist any
stable “ground state” of lowest energy. As an aside, what Kepler’s
law follows from your analysis?
(d) We assert that quantum mechanics does not suffer from this dis-
ease, but this must be proven. You have seen (or, if not, see the
following problem) the analysis for the hydrogen atom in quan-
tum mechanics, and know that it has a ground state of finite
energy. However, it might happen for larger systems that sta-
bility is lost in quantum mechanics – there are typically several
negative terms in the potential function which could win over the
postive kinetic energy terms. We wish to prove that this is, in fact,
not the case. The Hamiltonian is as above, but now pk = −i∂k
(∂k = ( ∂x∂ k , ∂y∂k , ∂z∂k )).
Find a rigorous lower bound on the expectation value of H. It
doesn’t have to be very “good”– any lower bound will settle this
15
question of principle. You may take it as given that the lower
bound exists for the hydrogen atom, since we have already demon-
strated this. You may also find it convenient to consider center-
of-mass and relative coordinates between particle pairs.
34. The one-electron atom (review?): Continuing from problem 29, now
consider the case of the one-electron atom, with an electron under the
influence of a Coulomb field due to the nucleus of charge Ze:
Ze2
V (r) = − , (10)
r
(a) Without knowing the details of the potential, we may evaluate
the form of the radial wave function (Rn
(r) = un
(r)/r, where
ψn
m (x) = Rn
(r)Y
m (θ, φ)) for small r, as long as the potential
depends on r more slowly than 1/r2. Here, n is a quantum number
for the radial motion. Likewise, we find the asymptotic form of
the wave function for large r, as long as the potential approaches
zero as r becomes large. Find the allowable forms for the radial
wave functions in these two limits.
(b) Find the bound state eigenvalues and eigenfunctions of the one-
electron atom. [Hint: it is convenient to express the wave function,
or rather un
, with its asymptotic dependence explicit, so that
may be “divided out” in solving the rest of the problem.] You
may express your answer in terms of the Associated Laguerre
Polynomials:
n−
−1
(−)k+1 (n + )!
L2
+1
n+
(x) = xk . (11)
k=0 (n − − 1 − k)!(2 + 1 + k)!k!
16
Physics 195a
Problem set number 6 – Solutions to Problems 33 and 34
Due 2 PM, Thursday, November 14, 2002
READING: Read the “The Simple Harmonic Oscillator: Creation and De-
struction Operators” course note.
PROBLEMS:
(a) Assume we have solved the equations of the motion, with solutions
xk = sk (t). Show that for any ω > 0 we can select a number c > 0
such that xk = csk (ωt) is also a solution of the equations of motion.
Remember, we are dealing with the classical equations of motion
here.
Solution: The solutions sk (t) must satisfy “F = ma”, that is:
qi qj d2
(si − sj ) = mi si (t). (10)
j=i |si − sj |3 dt2
14
Let xi (t) = csi (ωt). Then,
d2 2 d
2
xi (t) = ω c si (t). (11)
dt2 dt2
Also,
qi qj 1 qi qj
(xi − xj ) = (si − sj ). (12)
j=i |xi − xj |3 c2 j=i |si − sj |3
[pk (t)]2 1 gj qk
E→E = + = ω 2/3 E. (16)
k mk 2 j,k;j=k |xk − xj |
15
(c) Hence, draw the final conclusion that there does not exist any
stable “ground state” of lowest energy. As an aside, what Kepler’s
law follows from your analysis?
Solution: If we have any bound state with E < 0, such as for
two particles when qj = −qk , then we have another solution with
energy ω 2/3 E. Since ω can be taken arbitrarily large, there is no
lowest energy solution.
The Kepler’s law that follows from this analysis is the third: The
size of a trajectory scales as ω −2/3 . The period of the trajectory
scales as 1/ω. Thus, if a is the semi-major axis of the orbit, and
τ is the period,
a ∝ ω −2/3 (18)
τ ∝ ω −1 (19)
∝ a3/2 . (20)
(d) We assert that quantum mechanics does not suffer from this dis-
ease, but this must be proven. You have seen (or, if not, see the
following problem) the analysis for the hydrogen atom in quan-
tum mechanics, and know that it has a ground state of finite
energy. However, it might happen for larger systems that sta-
bility is lost in quantum mechanics – there are typically several
negative terms in the potential function which could win over the
postive kinetic energy terms. We wish to prove that this is, in fact,
not the case. The Hamiltonian is as above, but now pk = −i∂k
(∂k = ( ∂x∂ k , ∂y∂k , ∂z∂k )).
Find a rigorous lower bound on the expectation value of H. It
doesn’t have to be very “good”– any lower bound will settle this
question of principle. You may take it as given that the lower
bound exists for the hydrogen atom, since we have already demon-
strated this. You may also find it convenient to consider center-
of-mass and relative coordinates between particle pairs.
Solution: We know that the energy spectrum of the one-electron
atom is bounded below. Thus, the Hamiltonian
p2 Ze2
H1 = − , (21)
2m |x|
16
has a lower bound on the energy. For any acceptable wave function
|f1 , we have
f1 |H1 |f1 ≥ −Z 2 α2 m/2. (22)
We will make use of this in analyzing our more complicated sys-
tem.
We must consider the Hamiltonian
N
p2k qk qj
H= + . (23)
k=1 2mk N ≥j>k≥1 |xk − xj |
Let f (x) be any wave function in the allowed Hilbert space, nor-
malized so that f |f = 1. We wish to show that f |H|f > −∞.
We already know that some of the individual terms are bounded
below by zero:
N
p2k
f | |f ≥ 0 (24)
k=1
2mk
qk qj
f | |f ≥ 0, for qk qj ≥ 0. (25)
N ≥j>k≥1 |xk − xj |
17
We may rewrite Hjk in terms of the relative and center-of-mass
motion of the two-particle subsystem: Hjk = Hjk;CM + Hjk;rel,
where
(pj + pk )2
Hjk;CM = (27)
2(nj mj + nk mk )
p2 |qj qk |
Hjk;rel = − , (28)
2m |x|
34. The one-electron atom (review?): Continuing from problem 29, now
consider the case of the one-electron atom, with an electron under the
influence of a Coulomb field due to the nucleus of charge Ze:
Ze2
V (r) = − , (31)
r
(a) Without knowing the details of the potential, we may evaluate
the form of the radial wave function (Rn
(r) = un
(r)/r, where
ψn
m (x) = Rn
(r)Y
m (θ, φ)) for small r, as long as the potential
depends on r more slowly than 1/r2. Here, n is a quantum number
for the radial motion. Likewise, we find the asymptotic form of
the wave function for large r, as long as the potential approaches
zero as r becomes large. Find the allowable forms for the radial
wave functions in these two limits.
18
Solution: In problem 29, we showed that we could write the
Schrödinger equation for the relative motion in the form:
1 d2 &(& + 1)
− + V (r) + un
(r) = Eun
(r). (32)
2m dr 2 2mr 2
For & > 0, the r −
solution diverges too rapidly near r = 0 for this
normalization condition.
The situation for & = 0 is more subtle. Often, this is glossed over,
and people just lump it in with the & > 0 case, but the same
argument for excluding the r 0 solution really doesn’t work. For
this case, un0 (r) = constant, and hence, ψn0 (x) ∝ 1/r at small r.
But
1
∇2 = −4πδ(r), (36)
r
so this solution doesn’t satisfy the Schödinger equation at r = 0.
Thus, the physical solution is un
(r) ∝ r
+1 as r → 0. Or,
ψn
(x) ∝ r
as r → 0. For & > 0, ψn
→ 0, and for & = 0,
ψn
→ constant, as r → 0.
Now consider large r, and assume V (r) → 0 as r → ∞. Then the
asymptotic Schrödinger equation is:
1 d2
− un
(r) = Eun
(r). (37)
2m dr 2
19
The solutions to this equation are:
k2
un
(r) ∝ e±ikr , E= , for E > 0; (38)
2m
κ2
un
(r) ∝ e−κr , E=− , for E < 0. (39)
2m
The E < 0 solutions are the bound states (κ > 0). Note that the
e+κr solutions are unnormalizable. The asymptotic wave functions
are thus of the form e±ikr /r (spherical waves outgoing or incoming)
for the unbound states, and of the form e−κr /r for the bound
states.
One final remark: in the asymptotic limit, we can multiply these
solutions by r a , correct to leading order in r.
(b) Find the bound state eigenvalues and eigenfunctions of the one-
electron atom. [Hint: it is convenient to express the wave function,
or rather un
, with its asymptotic dependence explicit, so that
may be “divided out” in solving the rest of the problem.] You
may express your answer in terms of the Associated Laguerre
Polynomials:
n−
−1
(−)k+1 (n + &)!
L2
+1
n+
(x) = xk . (40)
k=0 (n − & − 1 − k)!(2& + 1 + k)!k!
20
With these substitutions (the “8” is chosen for later convenience. . . ),
we have the differential equation:
d2 λ &(& + 1) 1
− − − v(ρ) = 0, (46)
dρ2 ρ ρ2 4
21
If we plug our series form for f (ρ) into this equation, we find the
recurrence relation for the coeeficients:
k−λ+&+1
ck+1 = ak . (55)
(k + 1)(k + 2& + 2)
At this point, it may be demonstrated that the series must indeed
terminate, or else we would obtain an unacceptable asymptotic
form of eρ/2 instead of e−ρ/2 .
Assuming k = m is the highest term, we must have, from our
recurrence relation:
M −λ+&+1
aM +1 = 0 = aM . (56)
(M + 1)(M + 2& + 2)
Thus, n = λ − & − 1. Since & and n are non-negative integers,
λ must also be an integer, with λ ≥ 1. Lambda is known as
the principal quantum number (np ), and M is known as the
radial quantum number (nr ). Since λ can only take on discrete
values, we have the quantization of the energy levels:
Z 2 e4 m
Eλ = − , λ = 1, 2, . . . . (57)
2 λ2
For Z = 1 and λ = 1 this gives the familiar E1 = −13.6 eV ground
state energy of hydrogen.
The differential equation for f is known as the Associated La-
guerre Equation. It may readily be verified that the coefficients
in the associated Laguerre polynomials given in the problem state-
ment satisfy the desired recurrence relation, hence the radial wave
function is given by (after properly normalizing):
3/2
2Z
22
Physics 195a
Problem set number 7
Due 2 PM, Thursday, November 21, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
23
39. Green’s function solution of the infinite square well: Exercise 4 of the
Resolvent course note.
24
Physics 195a
Problem set number 7 – Solution to Problem 40
Due 2 PM, Thursday, November 21, 2002
39. Green’s function solution of the infinite square well: Exercise 4 of the
Resolvent course note.
Ze2 ( + 1)
Veff (r) = − + . (12)
r 2mr 2
17
We found the solutions:
3/2
2Z
(np − − 1)! −ρ/2np 2+1
Rnp (r) = − 3 (ρ/np ) e Lnp + (ρ/np ),
np a0 2np [(np + )!]
(13)
where
2Z
ρ = r, (14)
a0
1 1
a0 = = , is the Bohr radius, (15)
me 2 mα
np = nr + + 1. (16)
18
1 Z 3/2 −ρ/4
R21 (ρ) = √ ρe (27)
4 6 a0
3/2
1 Z
R31 (ρ) = √ ρ(4 − ρ/3)e−ρ/6 (28)
27 6 0a
3/2
1 Z 5 ρ2 −ρ/8
R41 (ρ) = √ ρ 10 − ρ + e . (29)
64 15 a0 4 32
Z 2 e4 m 1
Enp =− . (31)
2 n2p
1
Enp = − . (32)
4n2p
We’ll make graphs of Ueff (ρ) and of Rnp (ρ)(a0 /Z)3/2 (as well as u).
19
Physics 195a
Problem set number 8
Due 5 PM, Monday, December 2, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
41. Green’s function solution of the finite square well/square bump: Exer-
cise 5 of the Resolvent course note. Note that there is a typo in the
statement of this problem, in Eqn. 128. The “ρ” in the denominator
should be a “ρ0 ”.
20
Physics 195a
Problem set number 9
Due 2 PM, Thursday, December 5, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
46. Generalized addition law for tangents: Exercise 2 of the Angular Mo-
mentum course note.
29
Physics 195a
Problem set number 10
Due 2 PM, Thursday, December 12, 2002
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
30
49. Application of symmetry principles for selection rules: Exercise 4 of
the Angular Momentum course note.
50. Oivil and Livio are up to their old tricks again (sometimes they use their
undercover aliases “Alice” and “Bob”, so be leery of anyone bearing
these pseudonyms. You have been warned. . . ). As usual, they conspire
to produce two-photon states. The polarization states of a photon may
be described as a two-state system; we’ll work in the helicity basis here,
with
1 0
|R = ; |L = (90)
0 1
The Pauli matrix σ3 is just the helicity operator in this basis, if we
adopt the convention that a right-handed particle has positive helicity.
If the photon is directed along the positive z-axis, we also have
T ≡ L1 O1 + L2 O1 + L2 O2 − L1 O2 . (93)
What are the possible values which random variable T can take
on?
Let p(1 , 2 , o1 , o2 ) be the probability of sampling a set of values:
L1 = 1 ; L2 = 2 ; O1 = o1 ; O2 = o2 . (94)
31
Compute the expectation value, according to p(1 , 2 , o1 , o2 ) of T :
L1 = σ3 ; L2 = σ1 .” (97)
Let’s see what they might find: What is the expectation value of
the operator
T = L1 O1 + L2 O1 + L2 O2 − L1 O2 ? (99)
32
Physics 195a
Problem set number 10 – Solution to Problem 50
Due 2 PM, Thursday, December 12, 2002
50. Oivil and Livio are up to their old tricks again (sometimes they use their
undercover aliases “Alice” and “Bob”, so be leery of anyone bearing
these pseudonyms. You have been warned. . . ). As usual, they conspire
to produce two-photon states. The polarization states of a photon may
be described as a two-state system; we’ll work in the helicity basis here,
with
1 0
|R = ; |L = (90)
0 1
The Pauli matrix σ3 is just the helicity operator in this basis, if we
adopt the convention that a right-handed particle has positive helicity.
If the photon is directed along the positive z-axis, we also have
30
The sneaky Oivil decides to have some fun with his hapless twin. He
says: “I want you to measure your photons’ polarization in two ways,
with operators having eigenvalues of ±1. Being fair, I’ll do the same
thing with my photons.”
(a) Let O1 = ±1 stand for the random variable corresponding to the
result of Oivil’s measurement with one operator, and O2 stand for
the random variable corresponding to his measurement with his
other operator. Likewise, let L1 and L2 stand for Livio’s random
variables. Consider the quantity:
T ≡ L1 O1 + L2 O1 + L2 O2 − L1 O2 . (93)
What are the possible values which random variable T can take
on?
Let p(1 , 2 , o1 , o2 ) be the probability of sampling a set of values:
L1 = 1 ; L2 = 2 ; O1 = o1 ; O2 = o2 . (94)
31
(b) Now Oivil says, “OK, let’s try it. We’ll produce photons according
to the two-photon state:
1
|ψ = √ (|RR + |LL), (99)
2
where L stands for left-handed polarization, and R stands for
right-handed polarization. You go measure your photons with the
following operators:
L1 = σ3 ; L2 = σ1 .” (100)
T = L1 O1 + L2 O1 + L2 O2 − L1 O2 ? (102)
1
L1 O1 = √ (RR| + LL|)σ3L (σ3O + σ1O )(|RR + |LL) (103)
2 2
1
= √ (RR| + LL|)σ3L (|RR − |LL + |RL + |LR)
2 2
1
= √ (RR| + LL|)(|RR + |LL + |RL − |LR)(104)
2 2
1
= √ . (105)
2
1
L2 O1 = √ (RR| + LL|)σ1L (σ3O + σ1O )(|RR + |LL) (106)
2 2
1
= √ (RR| + LL|)σ1L (|RR − |LL + |RL + |LR)
2 2
32
1
= √ (RR| + LL|)(|LR − |RL + |LL + |RR)(107)
2 2
1
= √ . (108)
2
1
L2 O2 = √ (RR| + LL|)σ1L (−σ3O + σ1O )(|RR + |LL)
(109)
2 2
1
= √ (RR| + LL|)σ1L (−|RR + |LL + |RL + |LR)
2 2
1
= √ (RR| + LL|)(−|LR + |RL + |LL + |RR)(110)
2 2
1
= √ . (111)
2
1
L1 O2 = √ (RR| + LL|)σ3L (−σ3O + σ1O )(|RR + |LL)
(112)
2 2
1
= √ (RR| + LL|)σ3L (−|RR + |LL + |RL + |LR)
2 2
1
= √ (RR| + LL|)(−|RR − |LL + |RL − |LR)(113)
2 2
1
= −√ . (114)
2
Therefore, √
T = 2 2. (115)
Our quantum mechanical result violates the bound we obtained
in part (a)!
33
Physics 195b
Problem set number 11
Due 2 PM, Thursday, January 16, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
34
55. We discussed Berry’s phase in class, including the example of the
Aharonov-Bohm effect. Now that we know more about rotations, let
us try another example.
Consider a spin-1/2 particle of magnetic moment µ in a magnetic field,
B. Let the strength of the magnetic field be a constant, but suppose
that its direction is slowly changing. Suppose the magnetic field vector
is swept through a closed curve (i.e., think of the tip of its vector as
been varied along a closed curve on the surface of a sphere). Thus, two
parameters describing the direction of the field are being varied, which
we might take to be the polar angles (θ, φ).
(a) What does “slow” mean? That is, on what time scale should the
variation be slow, in order for the adiabatic approximation to be
reasonable?
(b) What is the expectation value of the spin vector in the adiabatic
ground state?
(0)
(c) Express the adiabatic ground state wave function, ψθφ , in terms
of the adiabatically-varied parameters. You can achieve this by
inspection from your result to part (b), but I urge you to try doing
it instead (or, in addition, as a check) by performing a rotation
on a vector to the desired polar angles, now that we know how to
do this. I hope you’ll even try it with our general rotation matrix
formalism (the D matrices), even though you can short-cut this
for spin- 12 .
(d) Suppose we let the B field direction rotate slowly around the 3-
axis at constant θ. Calculate Berry’s phase for this situation.
[Recall, from first quarter, that Berry’s phase is the change in the
phase of the adiabatic wave function (ground state here) over one
complete circuit in parameter space. We found that the Berry
phase is given by:
(0) (0)
γB = i α · ψα
dα |∇α ψα , (116)
35
Physics 195b
Problem set number 11 – Solution to Problem 55
Due 2 PM, Thursday, January 16, 2003
(a) What does “slow” mean? That is, on what time scale should the
variation be slow, in order for the adiabatic approximation to be
reasonable?
Solution: The Hamiltonian is:
34
state (spin opposite µB) is just |µB|. The rate at which the
Hamiltonian changes must be slow compared with this energy gap,
for the adiabatic approximation. A suitable measure of the rate
of change of the Hamiltonian is
1 dH 1 dB
∼ , (117)
H dt |B| dt
where the interpretation of the left hand side should be in terms
of expectation values. Thus, for the adiabatic approximation, we
require:
1 dB
|µB|. (118)
|B| dt
Note that we can also never have the strength of the magnetic field
go to zero, since then we would have degenerate ground states.
(b) What is the expectation value of the spin vector in the adiabatic
ground state?
Solution: Let θ and φ be the polar angles of the magnetic field.
These are the paramters which are being varied slowly. Hence,
(0)
denote the adiabatic ground state by ψθφ . The ground state is
the state in which the spin direction is aligned with the magnetic
field. The expectation value of the spin vector is therefor:
(0) (0) B 1 B
ψθφ |S|ψθφ = |S| = . (119)
|B| 2 |B|
(0)
(c) Express the adiabatic ground state wave function, ψθφ , in terms
of the adiabatically-varied parameters. You can achieve this by
inspection from your result to part (b), but I urge you to try doing
it instead (or, in addition, as a check) by performing a rotation
on a vector to the desired polar angles, now that we know how to
do this. I hope you’ll even try it with our general rotation matrix
formalism (the D matrices), even though you can short-cut this
for spin- 12 .
1
Solution: We would like to rotate a vector , representing a
0
spin along the 3-axis, to a vector oriented with polar angles (θ, φ).
We may perform such a rotation by first rotating about the 2-axis
35
by angle θ, followed by a rotation about the 3-axis by angle φ. We
could do this directly, since this is a spin- 12 system, by computing
the SU(2) element:
(d) Suppose we let the B field direction rotate slowly around the 3-
axis at constant θ. Calculate Berry’s phase for this situation.
[Recall, from first quarter, that Berry’s phase is the change in the
phase of the adiabatic wave function (ground state here) over one
complete circuit in parameter space. We found that the Berry
phase is given by:
(0) (0)
γB = i α · ψα
dα |∇α ψα , (126)
36
where α is a vector in parameter space.] See if you can give a
geometric interpretation to your answer, in terms of an amount of
solid angle swept out by the circuit in parameter space.
Solution: Our parameter space is two-dimensional, but only one
is varied along our circuit, so Berry’s phase is:
2π
∂ (0)
(0)
γB = i dφψθφ |
ψ (127)
0 ∂φ θφ
2π
θ θ −iφ 0
= i dφ cos , sin e (128)
0 2 2 i sin θ2 eiφ
θ
= −2π sin2 . (129)
2
The geometric interpretation of this result is perhaps not immedi-
ately obvious, although the presence of the 2π and the trigonomet-
ric function of θ is suggestive. It becomes clearer when we use the
1
identity sin2 2θ = 12 (1 − cos θ). Further, (1 − cos θ) = cos θ d cos θ
is just the fraction of the total solid angle in parameter space pre-
sented by the region encircled by our path. Thus, with S = 12 , we
may write: 2π 1
γB = −S d cos θ = −SΩ, (130)
0 cos θ
where Ω is the solid angle encircled by our path, as viewed from
the origin in parameter space.
37
Physics 195b
Problem set number 12
Due 2 PM, Thursday, January 23, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
38
F. Ajzenberg-Selove, “Energy Levels of Light Nuclei, A = 5-10,” Nucl.
Phys. A490 1-225 (1988)
(see also http://www.tunl.duke.edu/nucldata/fas/88AJ01.shtml).
57. Symmetry and broken symmetry: Application of group theory to level
splitting in a lattice with reduced symmetry. Do exercise 14 of the
Angular Momentum course note. This is an important problem – it
illustrates the power of group theoretic methods in addressing certain
questions. I hope you will find it fun to do.
58. In class, we have discussed the transformation between two different
types of “helicity bases”. In particular, we have considered a system of
two particles, with spins j1 and j2 , in their CM frame.
One basis is the “spheical helicity basis”, with vectors of the form:
|j, m, λ1 , λ2 , (131)
The other basis is the “plane-wave helicity basis”, with vectors of the
form:
|θ, φ, λ1, λ2 , (133)
where θ and φ are the spherical polar angles of the direction of particle
one. We did not specify a normalization for these basis vectors, but an
obvious (and conventional) choice is:
θ , φ, λ1 , λ2 |θ, φ, λ1, λ2 = δ (2) (Ω − Ω)δλ1 λ1 δλ2 λ2 , (134)
where d(2) Ω refers to the element of solid angle for particle one.
In class, we have obtained the result for the transformation between
these bases in the form:
j
|θ, φ, λ1 , λ2 = bj |j, m, λ1 , λ2 Dmδ (φ, θ, −φ), (135)
j,m
39
59. Clebsch-Gordan coefficients, an alternate practical approach: Exercise
16 of the Angular Momentum course note.
40
Physics 195b
Problem set number 12 – Solution to Problem 58
Due 2 PM, Thursday, January 23, 2003
34
The other basis is the “plane-wave helicity basis”, with vectors of the
form:
|θ, φ, λ1, λ2 , (118)
where θ and φ are the spherical polar angles of the direction of particle
one. We did not specify a normalization for these basis vectors, but an
obvious (and conventional) choice is:
θ , φ, λ1 , λ2 |θ, φ, λ1, λ2 = δ (2) (Ω − Ω)δλ1 λ1 δλ2 λ2 , (119)
where d(2) Ω refers to the element of solid angle for particle one.
In class, we have obtained the result for the transformation between
these bases in the form:
j
|θ, φ, λ1 , λ2 = bj |j, m, λ1 , λ2 Dmδ (φ, θ, −φ), (120)
j,m
1 2π
= bj |j , m , λ1 , λ2 d cos θdjmδ (θ)djm δ (θ) dφei(m−m )φ (122)
j ,m −1 0
1
= 2π
bj |j , m, λ1 , λ2 d cos θdjmδ (θ)djmδ (θ) (123)
j −1
2δjj
= 2π bj |j , m, λ1 , λ2 (124)
j 2j + 1
4π
= bj |j, m, λ1 , λ2 . (125)
2j + 1
Note that we should probably justify the interchange of the order of
summation and integration in the very first step above. Thus,
2j + 1 j∗
|j, m, λ1 , λ2 = dΩDmδ (φ, θ, −φ)|θ, φ, λ1, λ2 . (126)
4πbj 4π
35
Now,
36
are intended to assume that the frame is the rest frame of the spin-1
particle.
37
Physics 195b
Problem set number 13
Due 2 PM, Thursday, January 30, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
64. Let us discuss some issues relevant to the proof you gave of Yang’s
theorem (by the way, the original reference is: C. N. Yang, Physical
Review 77 (1950) 242) in exercise 10 of the Angular Momentum course
note.
34
(a) Let us consider the parity again, and try to establish the connec-
tion between how I expected you to do the homework, and an
equivalent argument based on the identical boson symmetry.
In general, the parity of a system of two particles, when their state
is an eigenstate of the parity operator, may be expressed in the
form:
P = ηintrinsic ηspatial ,
where P 2 = 1, ηintrinsic refers to any intrinsic parity due to the
interchange of the positions of the particles, and ηspatial refers to
the effect of parity on the spatial part of the wave function. Given
a system of two identical particles, and considering the action of
parity on YL0 (θ, φ), determine the parity of the system for given
orbital angular momentum L.
For a two-photon system, such as we considered in our discussion
of Yang’s theorem, explicitly consider boson symmetry (i.e., that
the wave function is invariant under interchange of all quantum
numbers for two identical bosons) to once again determine the
effect of parity of the states:
Also, give the allowed possibilities for the orbital angular momen-
tum for these states, at least at the level of our current discussion.
You may now wish to go back to your original derivation of Yang’s
theorem, and determine where you implicitly made use of the
boson symmetry.
(b) Continuing our discussion of Yang’s theorem, there may be some
concern about the total spin angular momentum of the two photon
states, and whether the appropriate values are possible to give the
right overall angular momentum when combined with even or odd
orbital angular momenta. Using a table of Clebsch-Gordan coef-
ficients or otherwise, let us try to alleviate this concern. Thus,
decompose our four 2-photon helicity states (with Jz values in-
dicated by |↑↑, |↓↓, √12 [|↑↓+ |↓↑], √12 [|↑↓− |↓↑], where the
photons are travelling along the + and −z axis) into states of
total spin angular momenta and spin projection along the z-axis:
| S, Sz . Hence, show that a J P = 0+ particle may decay into
35
two photons with relative orbital angular momentum L = 2 or 0,
and a J P = 0− particle may decay into two photons with relative
angular momentum L = 1.
36
Physics 195b
Problem set number 13 – Solution to Problem 64
Due 2 PM, Thursday, January 30, 2003
(a) Let us consider the parity again, and try to establish the connec-
tion between how I expected you to do the homework, and an
equivalent argument based on the identical boson symmetry.
In general, the parity of a system of two particles, when their state
is an eigenstate of the parity operator, may be expressed in the
form:
P = ηintrinsic ηspatial ,
where P 2 = 1, ηintrinsic refers to any intrinsic parity due to the
interchange of the positions of the particles, and ηspatial refers to
the effect of parity on the spatial part of the wave function. Given
a system of two identical particles, and considering the action of
parity on YL0 (θ, φ), determine the parity of the system for given
orbital angular momentum L.
For a two-photon system, such as we considered in our discussion
of Yang’s theorem, explicitly consider boson symmetry (i.e., that
the wave function is invariant under interchange of all quantum
numbers for two identical bosons) to once again determine the
effect of parity of the states:
|↑↑, |↓↓, |↑↓ + |↓↑, |↑↓ − |↓↑
38
Also, give the allowed possibilities for the orbital angular momen-
tum for these states, at least at the level of our current discussion.
You may now wish to go back to your original derivation of Yang’s
theorem, and determine where you implicitly made use of the
boson symmetry.
Solution: The action of parity on a system of given orbital an-
gular momentum L is:
since YL0 does not depend on φ, and the effect of the tranformation
on θ is determined by the even/odd properties of the Legendre
polynomials. Note that it is sufficient to consider YL0 , since if
M = 0, we can always rotate to a basis in which M = 0, and
[J, P ] = 0. Thus, the parity of a system of two identical particles
of orbital angular momentum L is (−)L .
The | ↑↑ is symmetric under interchange of the spins. Therefore,
it must be symmetric under interchange of spatial coordinates
in order for the total wave function to be symmetric under in-
terchange of the two photons. Thus, the parity of this state is
even. The same argument applies for | ↓↓ and | ↑↓ + ↓↑. The
| ↑↓ − ↓↑ state is odd under spin interchange, hence must be odd
under space interchange; the parity of this state is odd.
The even parity states can have even orbital angular momenta,
and the odd parity state can have odd orbital angular momenta.
(b) Continuing our discussion of Yang’s theorem, there may be some
concern about the total spin angular momentum of the two photon
states, and whether the appropriate values are possible to give the
right overall angular momentum when combined with even or odd
orbital angular momenta. Using a table of Clebsch-Gordan coef-
ficients or otherwise, let us try to alleviate this concern. Thus,
decompose our four 2-photon helicity states (with Jz values in-
dicated by |↑↑, |↓↓, √12 [|↑↓+ |↓↑], √12 [|↑↓− |↓↑], where the
photons are travelling along the + and −z axis) into states of
total spin angular momenta and spin projection along the z-axis:
| S, Sz . Hence, show that a J P = 0+ particle may decay into
39
two photons with relative orbital angular momentum L = 2 or 0,
and a J P = 0− particle may decay into two photons with relative
angular momentum L = 1.
Solution: We are asked to combine the spins of the two photons
to determine the given states in terms of the total spin and its
projection along the z axis. Using a table of Clebsch-Gordan
coefficients, we find:
The J P = 0+ state, with even parity, can only decay to the even
parity state | ↑↓ + | ↓↑. Note that we must have L = S, in order
to couple to angular momentum 0. We see that this is possible
with L = 0, coupling to the |00 spin state, or L = 2, coupling to
the |20 spin state. The J P = 0− state, with odd parity, can only
decay to the odd parity state | ↑↓ − | ↓↑. This is possible only
with L = 1.
40
Physics 195b
Problem set number 14
Due 2 PM, Thursday, February 6, 2003
41
Physics 195b
Problem set number 15
Due 2 PM, Thursday, February 13, 2003
Notes about course:
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• Collaboration policy: OK to work together in small groups, and to help
with each other’s understanding. Best to first give problems a good try
by yourself. Don’t just copy someone else’s work – whatever you turn
in should be what you think you understand.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
• TA: Anura Abeyesinghe, anura@caltech.edu
• If you think a problem is completely trivial (and hence a waste of your
time), you don’t have to do it. Just write “trivial” where your solution
would go, and you will get credit for it. Of course, this means you are
volunteering to help the rest of the class understand it, if they don’t
find it so simple. . .
READING: Read sections 1–7 of the “Scattering” course note.
PROBLEMS:
70. Almost degenerate perturbation theory: Do exercise 6 of the Approxi-
mate Methods course note.
71. Density of states: Do exercise 7 of the Approximate Methods course
note.
72. First Born approximation: Do exercise 8 of the Approximate Methods
course note.
73. Yukawa potential: Do exercise 9 of the Approximate Methods course
note.
74. Partial wave expansion; Optical theorem: Do Exercise 1 of the Scat-
tering course note.
42
Physics 195b
Problem set number 16
Due 2 PM, Thursday, February 20, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
43
79. When we talked about the hyperfine splitting in atoms, we mentioned
that the magnetic dipole moment of the proton is:
e
µ p = gp sp , (139)
2mp
3 × 3 × 3 = 10 + 8 + 8 + 1. (140)
44
However, the essential aspect here is that there is a singlet in the decom-
position. That is, it is possible to combine three colors in such a way as
to get a color-singlet state, i.e., a state with no net color charge. These
are the states of physical interest for our observed baryons, according to
a postulate of the quark model. After some thought (perhaps involving
raising and lowering operators along different directions in this color
space), you could probably convince yourself that the singlet state in
the decomposition above must be antisymmetric under the interchange
of any two colors. Assuming this is the case, write down the color
portion of the proton wave function.
Now that you know the color wave function of the quarks in the proton,
write down the spin wave function.
Since the proton is uud and its isospin partner the neutron is ddu, and
mp ≈ mn , let us make the simplfying assumption that mu = md . Given
the measured value of gp , what does your model give for mu ? Recall
that the up quark has electric charge 2/3, and the down quark has
electric charge −1/3, in units of the positron charge.
Finally, use your results to predict the gyromagnetic moment of the
neutron, and compare with observation.
45
Physics 195b
Problem set number 16 – Solution to Problem 79
Due 2 PM, Thursday, February 20, 2003
43
in a state with no orbital angular momentum. By Fermi statistics, the
two identical up quarks must have an overall odd wave function under
interchange of all quantum numbers. We must apply this with a bit of
care, since we are including “color” as one of these quantum numbers
here.
Let us look a little at the property of “color”. It is the strong interaction
analog of electric charge in the electromagnetic interaction. However,
instead of one fundamental dimension in charge, there are three color
directions, labelled as “red” (r), “blue” (b), and “green” (g). Unitary
transformations in this color space, up to overall phases, are described
by elements of the group SU(3), the group of unitary unimodular 3 ×
3 matrices. Just like combining spins, we may combine three colors
according to a Clebsch-Gordan series, with the result:
3 × 3 × 3 = 10 + 8 + 8 + 1. (140)
44
Solution: Note that there are six permutations of the three colors
among the three quarks, if no two quarks have the same color. The
completely antisymmetric combination of three colors is:
1
√ (|rgb − |rbg + |brg − |bgr + |gbr − |grb). (141)
6
To construct the spin wave function, we first note that the three spin-
1/2 quarks must combine in such a way as to give an overall spin-1/2
for the proton. Second, since the space wave function is symmetric,
and the color wave function is antisymmetric, the spin wave function
of the two up quarks must be symmetric. Thus, the two up quarks are
in a spin 1 state. To give the spin wave function of the proton, let us
pick the z axis to be along the spin direction. Then the spin state is:
11 2 1 1 1 11
| = |11; − − √ |10; . (142)
22 3 2 2 3 22
The magnetic moment of the proton in this model is thus:
2 1 4 1
µp = (2µu − µd ) + µd = µu − µd . (143)
3 3 3 3
Hence,
e 4 2 e 1 1 e
gp = 2 − 2 − . (144)
2mp 3 3 2mu 3 3 2md
With gp = 5.58, mp = 938 MeV, and mu = md , we obtain
mu = 2mp /gp = 336 MeV. (145)
The neutron wave function may be obtained from the proton wave
function by interchanging the u and d quark labels. Thus,
2 1 4 1
µn = (2µd − µu ) + µu = µd − µu . (146)
3 3 3 3
We predict the gyromagnetic moment of the nuetron to be:
4
µn µ
3 d
− 13 µu
= 4 (147)
µp µ
3 u
− 13 µd
4
3
− 13 − 12
33
= (148)
42 1 1
33
− 3
− 3
2
= − . (149)
3
45
That is, we predict (neglecting the mass difference) gn = −3.72. This
may be compared with the observed value of −3.83.
46
Physics 195b
Problem set number 17
Due 2 PM, Thursday, February 27, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
46
Phase
Shift
(degrees)
160
120
80
40
0
0 50 100 150 200
Tπ (MeV)
47
Physics 195b
Problem set number 17 – Solution to Problem 81
Due 2 PM, Thursday, February 27, 2003
160
δ1
120
80
40
δ0
0
0 50 100 150 200
Tπ (MeV)
Assume that the other phase shifts are negligible (e.g., “low energy”
is reasonably accurate). The pion mass and energy here are suffi-
ciently small that we can at least entertain the approximation of an
infinitely heavy proton at rest – we’ll assume this to be the case,
in any event.
Note that Tπ is the relativistic kinetic energy of the
+
π : Tπ = Pπ + m2π − mπ .
2
47
(a) Is the π + p force principally attractive or repulsive (as shown in
this figure)?
Solution: The phase shifts are positive, indicating a dominantly
attractive potential.
(b) Plot the total cross section in mb (millibarns) as a function of
energy, from Tπ =40 to 200 MeV.
Solution: The total cross section in terms of the partial wave
phase shifts is:
∞
4π
σT = (2 + 1) sin2 δ (150)
k 2 =0
4π
= (sin2 δ0 + 3 sin2 δ1 ). (151)
k 2
The kinetic energy Tπ is related to k by Tπ = m2π + k 2 − mπ , or
k= T (T + 2mπ ). (152)
To convert to millibarns, we multiply by:
1 = (197 MeV-fm)2 10 mb/fm2 = 3.88 × 105 MeV2 mb. (153)
(c) Plot the angular distribution of the scattered π + at energies of
120, 140 and 160 MeV.
Solution:
dσ 1 ∞
= | (2j + 1) e2iδj (k) − 1 Pj (cos θ)|2 (154)
dΩ 2ik j=0
1 2iδ0 (k)
= 2
|e − 1 + 3(e2iδj (k) − 1) cos θ|2 (155)
4k
1 2 2
= [cos δ0 − 1 + 3(cos δ 1 − 1) cos θ] + [sinδ0 + 3 sin δ1 cos θ] .
4k 2
(d) What is the mean free path of 140 MeV pions in a liquid hydrogen
target, with these “protons”?
Solution: The cross section for 140 MeV pions is ∼ 260 mb. The
density of liquid hydrogen is 0.0708 g/cm3 . The number density
is ρ == 4.2 × 102 8 m−3 . The mean free path is thus
1
λ= = 0.9 m. (156)
σT ρ
48
82. Inelastic scattering: Do Exercise 8 of the Scattering course note.
49
Physics 195b
Problem set number 18
Due 2 PM, Thursday, March 6, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
86. We discussed the method of stationary phase in class. Recall that the
problem it addresses is to evaluate integrals of the form:
∞
I() = f (x)eiθ(x)/ dx, (150)
−∞
49
where f and θ are real, and > 0. We showed that, in the situation
where is very small, and θ has a stationary point at x = x0 , this
integral is approximately:
√ iθ(x0 )/ i π4 sign(θ (x0 ) 2π
I() = f (x0 )e e [1 + O()] . (151)
|θ (x0 )|
If there is more than one stationary point, then the contributions are
to be summed.
To get a little practice applying this method, evaluate the following
integral for large t:
1
J(t) = cos t(x3 − x) dx. (152)
0
50
4
el(l) Not
k2 σ
α TOT Allowed
π (2l+1)
Allowed
0
0 1
k 2 σ inel(l)
α TOT
π (2l+1)
51
Physics 195b
Problem set number 18 – Solution to Problems 86 and 87
Due 2 PM, Thursday, March 6, 2003
86. We discussed the method of stationary phase in class. Recall that the
problem it addresses is to evaluate integrals of the form:
∞
I() = f (x)eiθ(x)/ dx, (157)
−∞
where f and θ are real, and > 0. We showed that, in the situation
where is very small, and θ has a stationary point at x = x0 , this
integral is approximately:
√ iθ(x0 )/ i π4 sign[θ (x0 )] 2π
I() = f (x0 )e e [1 + O()] . (158)
|θ (x0 )|
If there is more than one stationary point, then the contributions are
to be summed.
To get a little practice applying this method, evaluate the following
integral for large t:
1
J(t) = cos t(x3 − x) dx. (159)
0
50
√ √
x = ±1/ 3. The zero at x0 = 1/ 3 falls within the range of the
√ of interest. The value of θ
integral, so this is the only stationary point
at the stationary point is θ(x0 ) =√−2/3 3. The second derivative at
the stationary point is θ (x0 ) = 2 3.
Plugging into our stationary phase formula, we get:
1 − 2it
√ 2π
J(t) ≈ √ e 3 3 eiπ/4 √ (161)
t 2 3
π i − √
π 2t
= √ e 4 3 3 (162)
t 3
π π 2t
= √ cos − √ . (163)
t 3 4 3 3
51
and for given u, v must be in the range
52
4
el(l) Not
k2 σ
α TOT Allowed
π (2l+1)
Allowed
0
0 1
k 2 σ inel(l)
α TOT
π (2l+1)
Figure 2: The allowed and forbidden regions for possible elastic and inelastic
cross sections for the scattering of particles in a multiplet.
53
Physics 195b
Problem set number 19
Due 2 PM, Thursday, March 13, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
54
91. We have been discussing superconductivity as an application of quan-
tum mechanics. We considered a very simple model at first, in order
to demonstrate the plausibility of the formation of Cooper pairs. The
scanned notes are available as a link from the Ph 195 home page. The
first seven pages are of present interest.
55
Physics 195b
Problem set number 19 – Solution to Problem 91
Due 2 PM, Thursday, March 13, 2003
54
(b) Turn your estimate into a number, e.g., comparing the size with
the lattice spacing of the superconductor. You will no doubt need
to make plausible estimates (guesses?) of unknown parameters.
Solution: We need to estimate the energy of the Fermi surface.
We obtained in class that the momentum is given by:
(2 × 103 )2
εF ≈ ≈ 4 eV. (174)
2 × 0.5 × 106
Let us take a value of Tc = 10 K as a superconducting transition
10 1
temperature for our estimate. This is approximately 300 40
≈ 10−3
eV. Thus,
1 4
∆x ≈ 8 −3 ≈ 4 × 10−5 cm. (175)
10 10
If the lattice spacing is of order 10−8 cm, then this distance cor-
responds to roughly 4000 lattice spacings.
55
Physics 195b
Problem set number 20
Due 2 PM, Thursday, March 20, 2003
• Homework should be turned in to the TA’s mail slot on the first floor
of East Bridge.
• There is a web page for this course, which should be referred to for the
most up-to-date information. The URL:
http://www.hep.caltech.edu/˜fcp/ph195/
PROBLEMS:
(a) ψs† (x) is a field operator creating an electron with spin projection
s at point x,
56
(b) repeated indices are summed over,
(c) µ is the “chemical potential” (energy of the Fermi surface here),
(d) the “gap function” is:
1
. (174)
−∆αβ − ∇
2m x
· ∇y − µ δαβ
93. Let us investigate the very low energy scattering limit somewhat fur-
ther. In this limit, we expect S-wave scattering to dominate, so let us
look at the S-wave term (considering spinless case for now):
1
2iδ0
f0 (k) = e −1 . (175)
2ik
In the low energy limit, we can expand k cot δ0 in a series in powers of
k2:
1 1
k cot δ0 = − + r0 k 2 + O(k 4), (176)
a 2
57
where a is called the (zero-energy) “scattering length”,1 and r0 is called
the “effective range”. In principle, we need to establish this formula,
and relate a and r0 to the properties of the scattering center. However,
let us assume that the energy is sufficiently low that we may neglect
all but the first term.
(a) Show that, in the low energy limit, we may write δ0 = −ak, and
find a simple “physical” picture for a. That is, I want you to relate
a to some value of radius r. It is possible to do this by considering
the wavefunctions only in the region where the potential vanishes,
although to actually compute a requires looking at the potential,
of course. What is the total cross section, in terms of the scattering
length?
(b) We continue by considering specifically very low energy neutron-
proton scattering. These are not spinless particles, and indeed it is
observed that the potential is spin-dependent (can you think why
you already know this?). Thus, for neutron-proton scattering at
very low energies, we have two potentials to think about (more,
if spin flips happen, but we assume that we are at sufficiently low
energy so that everything is S-wave, with total spin conserved):
An effective potential for scattering in the spin-singlet state, and
another for the spin-triplet state. Corresponding to these two
potentials, we introduce two scattering lengths, at for the triplet
interaction, and as for the singlet.
With the sign convention of part (a), and using what you know
about the neutron-proton interaction, give a simple discussion of
what you expect for the signs of at and as .
(c) Continuing with low energy neutron-proton scattering, show that
the total cross section for low energy scattering of neutrons on a
target of randomly polarized protons is:
3 2 1 2
σ0 = 4π a + a . (177)
4 t 4 s
94. In practice, the result of the preceding problem may be applied to
neutron scattering on a hydrogen target (as our source of protons),
when the neutron wavelength is short compared with the hydrogen
1
Not everyone uses the same sign convention for a!
58
molecular size, but still long enough to be in the “low-energy” regime,
where we may neglect both higher partial waves and the effective range
term.
2
How do you remember which is which? Life is complicated by paradoxical parallelisms,
to say nothing of orthogonal orthodoxisms. But in the end, orthodoxy is paramount.
59