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1. The uncertainty
relation thus makes us reject the semi-classical picture of the Bohr orbits (see
§ C-2 of chapter VII).
References and suggestions for further reading:
Bohm (5.1), chap. 5, § 14 UNCERTAINTY RELATIONS AND ATOMIC PARAMETERS
Complement C,
THE UNCERTAINTY RELATIONS AND ATOMIC PARAMETERS
The Bohr orbit has no physical reality when coupled with the uncertainty relations
(cf. complement B,). Later (chap. VII), we shall study the quantum theory of the
hydrogen atom. We are going to show immediately, however, how the uncer-
tainty relations enable one to understand the stability of atoms and even to
derive simply the order of magnitude of the dimensions and the energy of the
hydrogen atom in its ground state.
Let us consider, therefore, an electron in the coulomb field of a proton,
which we shall assume to be stationary at the origin of the coordinate system.
When the two particles are separated by a distance r, the potential energy
of the electron is
:
v= - £4 w
where q is its charge (exactly opposite to that of the proton). We shall set:
Q)
Arty
Assume that the state of the electron is described by a spherically symmetric
wave function whose spatial extent is characterized by ro (this means that the
probability of presence is practically zero beyond 2r, or 3r9). The potential
energy corresponding to this state is then on the order of:
2
Vee tas 8)
For it to be as low as possible, it is necessary to take ro as small as possible.
That is, the wave function must be as concentrated as possible about the proton.
But it is also necessary to take the kinetic energy into account. This is
where the uncertainty principle comes in: if the electron is confined within
a volume of linear dimension ro, the uncertainty 4p in its momentum is at
least of the order of f/ro. In other words, even if the average momentum is zero,
the kinetic energy T associated with the state under consideration is not zero :
4
If we take r, smaller in order to decrease the potential energy, the minimum
kinetic energy (4) increases.
The lowest total energy compatible with the uncertainty relation is thus
the minimum of the function:
47-42 6
E, =
3
2mr3 Fy
4 @ courssuenr
This minimum is obtained for :
fa
To = = ©
and is equal to:
a
Variation with respect to r (extension of
the wave function) ofthe potential energy F,
the kinetic energy T, and the total energy
T+ 7 of m hydrogen atom. The fune-
tions T and 7 vary inversely, o the total
energy passes through a minimum valve
{for some value of F'and 7. The correspon-
ding value a, of ro gives the order of magni-
tude of the hydrogen tom's size,
Expression (6) is the one found in the Bohr model for the radius of the
first orbit, and (7) gives correctly the energy of the ground state of the hydrogen
atom (see chap. VIT; the wave function of the ground state is indeed e~""°), Such
quantitative agreement can only be accidental, since we have been reasoning
on the basis of orders of magnitude. However, the preceding calculation reveals
an important physical idea: because of the uncertainty relation, the smaller the
extension of the wave function, the greater the kinetic energy of the electron.
The ground state of the atom results from a compromise between the kinetic
energy and the potential energy.
We stress the fact that this compromise, based on the uncertainty relation,
is totally different from what would be expected in classical mechanics. If the
electron moved in a classical circular orbit of radius ro, its potential energy
would be equal to:
(8)
The corresponding kinetic energy is obtained by equating the electrostatic force
and the centrifugal force*:
e
(9)
o
* In fact, the laws of classical electromagnetism indicate that an accelerated clectron radiates,
which already forbids the existence of stable orbits.
48 UNcenTAWry atLanions anD arome ranamerens @
which gives
(10)
The total energy would then be equal to
le?
Ey = Tyt Y= se 11
am Tat Mam 3 (1)
The most favorable energetic situation would occur at ro = 0, which would
give an infinite binding energy. Thus, we can say that it is the uncertainty
relation which enables us to understand, as it were, the existence of atoms.
References and suggestions for further reading:
Feynman IIl (1.2) § 2-4. The same type of reasoning applied to molecules
Schiff (1.18), first section of § 49.
49 COMPLEMENT Oy
Complement D;
AN EXPERIMENT ILLUSTRATING THE UNCERTAINTY RELATION
Young's double-slit experiment, which we analyzed in § A-2 of chapter I, led us
to the following conclusions: both wave and particle aspects of light are
needed to explain the observed phenomena; but they seem to be mutually
exclusive, in the sense that it is impossible 10 determine through which slit each
photon has passed without destroying, by this very operation, the interference pattern.
The wave and particle aspects are sometimes said to be complementary.
We are going to consider Young's double-slit experiment again to demonstrate
how complementarity and uncertainty relations are intimately related. To try to
cast doubt on the uncertainty relation, one can imagine more subtle devices
than the one of chapter I, which used photomultipliers placed behind the slits.
We shall now analyze one of these devices.
iouRe
Diagram of 2 device using a
movable plate 2 whose momentum
s measured before and after the
‘passage of the photon to determine
‘whether the photon passed through
F, oc trough F, befor ariving at
polnt fon the screen,
Assume that the plate 2, in which the slits are pierced, is mounted so
that it can move vertically in the same plane. Thus, it is possible to measure the
vertical momentum transferred to it. Consider (fig. 1) a photon which strikes
the observation screen & at point M (for simplicity, we choose a source ¥ at infinity).
The momentum of this photon changes when it crosses Y. Conservation of
momentum implies that the plate # absorbs the difference. But the momentum
thus transferred to # depends on the path of the photon; depending on whether it
passed through F, or F;, the photon has a momentum of:
aa ud sin 0, a)
50 or:
hv
p= —Zsin dO, Q)
(a is the photon’s momentum, 6, and 0, are the angles made by F,M and
F,M with the incident direction )
We then allow the photons to arrive one by one and gradually construct
the interference pattern on the screen &. For each one, we determine through which
slit it has passed by measuring the momentum acquired by the plate #. It
therefore seems that interference phenomena can still be observed on & although
we know through which slit each photon has passed.
Actually, we shall see that the interference fringes are not visible with this
device. The error in the preceding argument consists of assuming that only the
Photons have a quantum character. In reality, it must not be forgotten that
quantum mechanics also applies to the plate # (macroscopic object). If we want
to know through which hole a photon has passed, the uncertainty 4p in the
vertical momentum of # must be sufficiently small for us to be able to measure
the difference between p, and p,:
4p < |P2 — Pil 8)
But then the uncertainty relation implies that the position of # is only known
to within 4x, with:
Ah
Ax 2 ——_ @
|p2 - pil
If we designate by a the separation of the two slits and by d the distance
between the plate # and the screen 6, and if we assume that 8, and @, are small
(da > 1), we find (fig. 1):
sin 8, = 0, =~ =
+
sin 0, = 0, ~~ ap 6)
(& denotes the position of the point of impact M on 6). Formulas (1) and (2)
then give
ne
id
where 4 =< is the wavelength of light. Substituting this value into formula (4),
hy
[ps — Pil = 102 - Ol 6
Ax> = (7)
st COMPLEMENT D,
But x is precisely the fringe separation we expect to find on é. If the vertical
position of the slits F, and F, is defined only to within an uncertainty greater
than the fringe separation, it is impossible to observe the interference pattern.
The preceding discussion clearly shows that it is impossible to construct a
quantum theory which is valid for light and not for material systems without
running into serious contradictions. Thus, in the above example, if we could
treat the plate as a classical material system, we could invalidate the comple-
mentarity of the two aspects of light, and, consequently, the quantum theory of
radiation. Inversely, a quantum theory of matter alone would come up against
analogous difficulties. In order to obtain an overall coherence, we must apply
quantum ideas to all physical systems.
Roferences and suggestions for further reading:
Bohm (5.1), chaps. 5 and 6; Messiah (1.17), chap. IV § TIN; Schiff (1.18), § 4;
Jammer (5.12), chaps. 4 and 5; also see reference (5.7).
2 Complement E,
A SIMPLE TREATMENT
OF A TWO-DIMENSIONAL WAVE PACKET
1, Introduction
2 Angular dispersion and lateral dimensions
3. Discussion
1. Introduction
In § C-2 of chapter I, we studied the shape of one-dimensional wave
packets, obtained by superposing plane waves which all propagate in the same
direction [formula (C-7)]. If this direction is that of the Ox axis, the resulting
function is independent of y and z. It has a finite extension along Ox, but is not
limited in the perpendicular directions : its value is the same at all points of a
plane parallel to yOz.
We intend to examine here another simple type of wave packets: the
plane waves which we are going to combine have coplanar wave vectors,
which are (nearly) equal in magnitude but have slightly different directions. The
goal is to show how the angular dispersion leads to a limitation of the wave
packet in the directions perpendicular to the average wave vector.
We saw in § C-2 of chapter I how, by studying the superposition of
three specific waves of the one-dimensional packet, one can understand the most
important aspects of the phenomena. In particular, one can find the fundamental
relation (C-18) of this chapter. We are going to limit ourselves here to a
simplified model of this type. The generalization of the results which we are
going to find can be carried out in the same way as in chapter I (see also
complement F;).
2. Angular dispersion and lateral dimensions
Consider three plane waves, whose wave vectors ky, k, and ky are shown
in figure 1. All three are in the xOy plane; k, is directed along Ox; k, and k, are
symmetric with respect to k,, the angle between each of them and k, being 40,
which we assume to be small. Finally, the projections of k,, k, and k, on Ox are
equal:
Kis > kay = Kay > [a] =k (1)
The magnitudes of these three vectors differ only by terms which are second
order in 48, which we shall neglect. Their components along the Oy axis are
ky, =0
» Q)
eae a .
33 @ comrienenr
We shall choose, as in § C-2 of chapter I, real amplitudes g(k) which satisfy
the relations :
ak) = atk) = atk,) 6
GURE
The arrangement of the wave vectors ky, kK and ky
associated with three plane waves which will be super-
‘posed to construct a two-dimensional wave packet.
This model represents schematically a more complex situation, in which one
would have a real wave packet, as in equation (C-6) of chapter I, with the
following characteristics : all the wave vectors are perpendicular to Oz and have
the same projection on Ox (only the component along Oy varies); the function
|g(k)| has, with respect to this single variable k,, the shape shown in figure 2;
its width 4&, is related very simply to the angular dispersion 246:
Ak, = 2kA8 4
The superposition of the three waves defined above gives:
Me
Wx, y) =
lk) e*
1 1
gfe ets 4 Leternann 4 1 gatentan
a { 2 2
= glk,) e™[1 + cos (k 48)] (3)
(there is no z-dependence, which is why this is called a two-dimensional wave
packet),
se
Figure 2
The three values chosen for k, represent very
schematically a peaked function |g(k)| (dashed
fine). rwo-omensionar wave raceer @
In order to understand what happens, we can use figure 3, where we represent,
for each of the three components, the successive wave fronts corresponding to phase
differences of 2x. The function |y(x, y)| has a maximum at y = 0 : the three waves
interfere constructively on the Ox axis. When we move away from this axis,
|W(x, »)| decreases (the phase shift between the components increases) and goes
to zero aty = + f where dy is given by:
4
cos (x10) -1 6
2
that is, for:
AO ay = 2x 0)
The phases of the (k,) and (K3) waves are then in opposition with that of the (k,)
wave (fig. 3). Using (4), we can rewrite (7) in a form which is analogous
to that of relation (C-11) of chapter I
Ay. Ak, = 4 (8)
FIGURE 3
Equal phase planes of the three
waves associated with the three k
vectors of igure 1: these waves are
inpphase at y = 0, but interfere des-
tructively at y =" 2n/Ak,,
Thus an angular dispersion of the wave vectors limits the lateral dimensions
of the wave packets. Quantitatively, this limitation has the form of an uncertainty
relation [formulas (7) and (8)].
jscussion
Consider a plane wave with wave vector k propagating along Ox. Any
attempt to limit its extension perpendicular to Ox causes an angular dispersion
to appear, that is, transforms it into a wave packet analogous to the ones we are
studying here.
55 COMPLEMENT E,
Assume, for example, that we place in the path of the plane wave a screen
pierced by a slit of width Ay. This will give rise to a diffracted wave (cf. fig. 4).
We know that the angular width of the diffraction pattern is given by:
A
240 = 25, 0)
where 2 “it is the incident wavelength. This is indeed the same situation
as above : formulas (7) and (9) are identical.
+ aa
ly
+
_. a
When the uncertainty dy is decreased, the
diffraction of the wave by the diaphragm
increases the uncertainty Ak,
56 Complement F;
THE RELATIONSHIP BETWEEN
ONE- AND THREE-DIMENSIONAL PROBLEMS
1. Three-dimensional wave packet
a. Simple case
. General case
2. Justification of one-dimensional models
The space in which a classical or quantum particle moves is, of course,
three-dimensional. This is why we wrote the Schrddinger equation (D-1) in
chapter I for a wave function y/(r) which depends on the three componehts x, y, z
of r. Nevertheless, we have repeatedly used in this chapter a one-dimensional
model, in which only the x-variable is considered, without justifying this model
in a very precise way. Therefore, this complement has two purposes: first (§ 1),
to generalize to three dimensions the results given in § C of chapter I; then (§ 2),
to show how one can, in certain cases, rigorously justify the one-dimensional
model
1. Three-dimensional wave packet
8. SIMPLE CASE
Let us begin by considering a very simple case, for which the following
two hypotheses are satisfied:
— the wave packet is free [V(r) =0] and can therefore be written as
in equation (C-6) of chapter I:
1
Cn
Hence faery w
— moreover, the function g(k) is of the form:
atk) = 94(k,) x galk,) x galk.) Q
Recall the expression for c(k) in terms of k:
of) = Fae 4) 6)
2m 2m
Substitute (2) and (3) into (1). It is possible to separate the three integrations
with respect to k,, k, and k, to obtain:
Wee.) = WG, Dx valet) x valet) Oy
7 COMPLEMENT Fy
with:
tpt
Vib) =— f ilk) ee dk,
Vin
tik?
afk) = 5 6)
and analogous expressions for 2(y, 1) and ,(z, 1).
V,(% 1) indeed has the form of a one-dimensional wave packet. In this
particular case, #(r, 1) is thus obtained simply by taking the product (4) of
three one-dimensional wave packets, each of which evolves in a totally independent
way.
b. GENERAL CASE
In the general case, where the potential V(r) is arbitrary, formula (1) is
not valid. It is then useful to introduce the three-dimensional Fourier transform
g(k, 1) of the function y (r, 1) by writing:
a
Gay?
wer, t) = fem ne™aek ©
A priori, the dependence of g(k, 1), which brings in V(r), is arbitrary. Moreover,
there is no reason in general why we should be able to express g(k, ’) in the
form of a product, as in (2), In order to generalize the results of § C-2 of
chapter 1, we make the following hypothesis about its k-dependence: |g(k, 1)| is
(at a given time ) a function which has a very pronounced peak for values of k
close to ko and takes on a negligible value when the tip of k leaves a domain D,
centered at ko and of dimensions 4k,, 4k,, 4k,. As above, we set:
ok, 1) = |g(k, )| ee (7)
so that the phase of the wave defined by the vector k can be written:
Eke) = alk, 1) thy x thy thy (8)
We can set forth an argument similar to that of § C-2 of chapter I. First of all,
the wave packet attains a maximum when all the waves, for which the tip
of k is in Dy, are practically in phase, that is, when € varies very little within D,.
In general, £(k, r, ¢) can be expanded about ky, Its variation between kg and k is,
to first order in dk = k — kg:
elk, x,t) = Ok,
dt, L..
+ dk, le alk, a 0
58 ONE. AND THREE-DIMENSIONAL PROBLEMS.
that is, more concisely*, using (8):
SE (kw, 0) = Sk. LMC T, Neus
= 6k. fr + [Wealk, aca] (10)
We see from (10) that the variation of é(k,r, ¢) within the domain D, will be
minimal for:
= halt) = — [Waxlks Manno (uy
We have seen that, under these conditions, |¥(r, #)| is maximum. Relation (11)
therefore defines the position ry(t) of the center of the wave packet and constitutes
the generalization to three dimensions of equation (C-15) of chapter I.
In what domain D,, centered at ry and of dimensions Ax, dy, 4z, does the
wave packet (6) take on non-negligible values? |y(r, 1)| becomes much smaller
than |Y(ry, ‘| when the various k waves destroy each other by interference,
that is, when the variation of é(k,r, ¢) within the domain D, is of the order
of 2x (or roughly, of the order of | radian). Set dr = r — ry; if (11) is taken
into account, relation (10) can be written :
8E(k, 4, 1) ~ dk. dr (12)
The condition 6é(k, r, 1) 2 1 immediately gives us the relations which exist
between the dimensions of D, and those of Dy:
(Ax. Ak, 21
Ay. 4k, = 1
jaz. dk, = 1 (13)
‘The Heisenberg uncertainty relations then follow directly from the relation p = hi k:
Ax. Ap,
Ay. dp, 2h
Az. Ap, Zh (4)
These inequalities constitute the generalization to three dimensions of (C-23)
of chapter I.
Finally, note that the group velocity Vg of the wave packet can be
obtained by differentiating (11) with respect to ¢:
Era, eens as)
In the special case of a free wave packet which does not, however, necessarily
satisfy (2), we have:
Ve
ak, 1) = afk, 0) = c(h) 6
where «(k) is given by (3). Formula (15) then gives:
Vo = [Weothihnan, = AP an
m
which is the generalization of equation (C-31) of chapter I.
* The symbol V designates a " gradient” : by definition, V f(x, y,"2) is the vector whose coor
nates are 2f/0x, f jay, Of /@2. The index k in Vy means that, as in (9), the differentations must be per
formed with respect to the variables k,, k, and k,
9 COMPLEMENT F,
2. Justi
jon of one-dimensional models.
When the potential is time-independent, we saw in § D-I of chapter I
that it is possible to separate the time and space variables in the Schrédinger
equation. This leads to the eigenvalue equation (D-8). We intend to show here
how it is possible, in certain cases, to extend this method further and to separate
as well the x, y, z variables in (D-8).
‘Assume that the potential energy V(r) can be written:
Vn) = Vix, y, 2) = KO) + KO) + KE) (18)
and let us see if there exist solutions of the eigenvalue equation of the form:
G(x, ¥, 2) = 9y(x) x Gay) x @3(2) (19)
‘An argument analogous to the one set forth in chapter I (§ D-I-a) shows
that this is possible if:
ia
iE rasa Ke) ows = Ey eilx) (20)
and if we have two other similar equations where x is replaced by y (or z),
V, by % (or W), and E, by E, (or E;). In addition, it is also necessary that
the relation:
E=
|) +E, + Es Ql
be satisfied.
Equation (20) is of the same type as (D-8), but in one dimension.
The x, y and z variables are separated.
What happens, for example, if the potential energy V(r) of a particle
depends only on x? V(r) can then be written in the form (18), where ¥, = V
and = Equations (20) in y and z correspond to the case already
studied, in § C-1 of chapter I, of the free particle in one dimension; their
solutions are plane waves e”? and e*. All that remains is to solve equation (20),
which amounts to considering a problem in only one dimension; nevertheless,
the total energy of the particle in three dimensions is now :
= Wage
E=E, +55 (kp + kE (22)
The one-dimensional models studied in chapter I thus actually correspond to a
particle in three dimensions moving in a potential V(r) which depends only on x.
The solutions g,(y) and ¢(z) are then very simple and correspond to particles
which are “free along Oy” or along Oz. This is why we have concentrated
all our attention on the study of the x-equation.
* Ircan be shown (of: chap. Il, § F-4-a-B) that, when Vie) has the form (18), all the solutions
of the eigenvalue equation (D-8) are linear combinations of those we find here,
60 orencmaicag (
Complement G,
ONE-DIMENSIONAL GAUSSIAN WAVE PACKET:
SPREADING OF THE WAVE PACKET
1. Definition of a gaussian wave packet
2. Caleulation of 4x and 4p; uncertainty relation
3. Evolution of the wave packet
1, Caleulation of Ys. 1)
b. Velocity of the wave packet
. Spreading of the wave packet
In this complement, we intend to study a particular (one-dimensional) free
wave packet, for which the function g(k) is gaussian. The reason why this
example is interesting lies in the fact that the calculations can be carried out
exactly and to the very end. Thus, we can first verify, in this special case,
the various properties of wave packets which we pointed out in § C of chapter I.
We shall then use these properties to study the variation in time of the width
of this wave packet and to reveal the phenomenon of spreading over time.
1. Definition of a gaussian wave packet
Consider, in a one-dimensional model, a free particle [V(x) = 0] whose
wave function at time 1 = 0
va eo Ft gue ah
W(x, 0) Gn" |.
ay
This wave packet is obtained by superposing plane waves e* with the coef:
ficients:
atk.) =
Q)
Vin em * ®
which correspond to a gaussian function centered at k = ky (and multiplied
by a numerical coefficient which normalizes the wave function). This is why
the wave packet (1) is called gaussian,
In the calculations which follow, we shall repeatedly come upon integrals
of the type:
Ie, B) = f “eeuen dg @)
6 COMPLEMENT G,
where « and B are complex numbers [for the integral (3) to converge, we
must have Re a? > 0]. The method of residues enables us to show that this
integral does not depend on B:
Mx, B) = I(2, 0) @
and that, when the condition — 2/4 < Arga < + 2/4 is fulfilled (which is always
possible if Re a? > 0), /(2, 0) is given by:
1
A(a, 0) =
11,0) 6)
@
‘Now all that remains is to evaluate (1, 0), which can be done classically, through
a double integration in the xOy plane and a change into polar coordinates :
11,0) = f “e-@ at = Va ©
Thus we have:
[Cesena o
with : — 9/4 < Arga < + 2/4.
Let us now calculate ¥(x, 0). To do this, let us group, in the exponents
of (1), the k-dependent terms into a perfect square, by writing them in the
form:
? ag 2 2x? 7
~ Fk bo) ee ee 8)
‘We can then use (7), which yields:
2\"
Wx, 0) = (2) efter estat @)
a
We find, as could be expected, that the Fourier transform of a gaussian
function is also gaussian (cf. appendix I).
At time ¢ = 0, the probability density of the particle is therefore given by :
>
Via
Wes, 0? ae (10)
The curve which represents |Y(x, 0)[? is the familiar bell-shaped curve.
The center of the wave packet [the maximum of |y(x,0)|] is situated at the
point x = 0. This is indeed what we could have found if we had applied the
general formula (C-16) of chapter I since, in this particular case, the function
(k)is real,
a anvenun wave exces @
Calculation of 4x and dp; uncertainty relation
It is convenient, when one is studying a gaussian function f(x) =e“, to
define its width Ax precisely by
Ax =— (i)
v2
When x varies from 0 to + 4x, f(x) is reduced by a factor of 1/v/e. This
definition, which is, of course, arbitrary, has the advantage of coinciding with
that of the “root-mean-square deviation” of the x variable (cf. chap. III, § C-5).
With this convention, we can calculate the width 4x of the wave packet (10),
which is equal to:
Ax = $ 2)
We can proceed in the same way to calculate the width 4k, since |g(k; 0)|?
is also a gaussian function. This gives:
Ak=s (13-a)
or:
h
4p=5 (13-b)
Thus we obtain:
Ax. dp =4 (14)
a result which is entirely compatible with Heisenberg’s uncertainty relation.
3. Evolution of the wave packet
®. CALCULATION OF ¥(,1)
In order to calculate the wave function (x, 1) at time 1, all we need to do
is use the general formula (C-6) of chapter I, which gives the wave function
of a free particle; we obtain:
Vex, = va | 8 TAH teeth (15)
Gn
with off) -— (dispersion relation for a free particle). We shall see that at
time 1, the wave packet still remains gaussian. Expression (15) can be transformed
by grouping, as above, all the k-dependent terms in the exponents into a perfect
square, We can then use (7), and we find:
“8 ‘COMPLEMENT G,
wl gle os
Wx, ) = (=) wey oe exp (16-a)
a, Se
mi
where ¢ is real and independent of x:
2
o--0—*%, with tan 29 = 2 (16-6)
2m ima
Let us calculate the probability density |¥(x, J? of the particle at time 1. We
obtain:
2e(x — te ‘)
Wer, oF — op jg - ayy
: Via ee awe
NV mat m
Let us show that the norm of the wave packet, f Wes, OP dx, is not
time-dependent (we shall see in chapter III that this property results from the
fact that the Hamiltonian H of the particle is Hermitian), We could, to this end,
use (7) again in order to integrate expression (17) from — co to + co. It is
quicker to observe from expression (15) that the Fourier transform of (x, 1)
is given by
atk, 1) = e "glk, 0) (1g)
(k, #) therefore obviously has the same norm as g(k, 0). Now the Parseval-Plancherel
equation tells us that y/(x, ¢) and g(k, «) have the same norm, as do W(x, 0) and g(k, 0).
From this we deduce that (x, #) has the same norm as (x, 0).
b. VELOCITY OF THE WAVE PACKET
We see in (17) that the probability density |y(x, 1)[? is a gaussian function,
centered at x = Vit, where the velocity 1, is defined by
fhe
Yo =m
(9)
We could have expected this result, in view of the general expression (C-32)
of chapter I, which gives the group velocity Vg
©. SPREADING OF THE WAVE PACKET
Let us take up formula (17) again. The width Ax(r) of the wave packet at
time 1, from definition (11), is equal to:
[aa
Ax) ee (20) GAUSSIAN WAVE PACKET @
We see (cf. fig. 1) that the evolution of the wave packet is not confined to
a simple displacement at a velocity ¥%. The wave packet also undergoes a
deformation. When 1 increases from — co to 0, the width of the wave packet
decreases, reaching a minimum at 0. Then, as ¢ continues to increase,
4x(1) grows without bound (spreading of the wave packet).
Wes. 0
= =>
rr oO ~ i
FoURE |
For negative ¢, the gaussian wave packet decreases in width as it propagates. At time 1 = 0, it isa
“minimum” wave packet : the product 4x. 4p is equal to f/2. Then, for > 0, the wave packet
spreads again as it propagates,
It can be seen in (17) that the height of the wave packet also varies,
but in opposition to the width, so the norm of (x, 1) remains constant.
The properties of the function g(k, 1) are completely different. In fact
[of formula (18)]:
Io(k. | = |atk, 0) ay
Therefore, the average momentum of the wave packet (ik) and its momentum
dispersion (4k) do not vary in time, We shall see later (cf. chap. III) that this
arises from the fact that the momentum is a constant of the motion for a free particle,
Physically, it is clear that since the free particle encounters no obstacle, the
‘momentum distribution cannot change.
The existence of a momentum dispersion 4p = hAk = h/a means that the
eH imagine a
m ~ ma
group of classical particles starting at time 1 = 0 from the point x = 0, with
a velocity dispersion equal to dv. At time 1 the dispersion of their positions
will be dxq = dv [| = 14
figure 2. Let us draw on the same graph the curve which gives the evolution in
time of 4x(;); when 1 becomes infinite, 4x(t) practically coincides with 5x,, [the
branch of the hyperbola which represents x(t) has for its asymptotes the straight
lines which correspond to 6x,,]. Thus, we can say that, when 1 is very large,
there exists a quasi-classical interpretation of the width 4x. On the other hand,
when 1 approaches 0, Ax(‘) takes on values which differ more and more
from 6x,,. The quantum particle must indeed constantly satisfy Heisenberg’s uncer-
velocity of the particle is only known to within 4p
his dispersion increases linearly with 1, as shown in
65 @ cowrssmens
tainty relation 4x. 4p > h/2 which, since 4p is fixed, imposes a lower limit
on Ax. This corresponds to what can be seen in figure 2.
4x
aure 2
Variation in time of the width 4x of the wave packet of figure 1. For large 1, 4x approaches the dis-
persion x,, of the positions of a group of classical particles which left x = 0 at ime ¢ = 0 with a
velocity dispersion 47/m.
COMMENTS:
(i) The spreading of the packet of free waves is a general phenomenon
which is not limited to the special case studied here. It can be shown
that, for an arbitrary free wave packet, the variation in time of its
width has the shape shown in figure 2 (cf. exercise 4 of complement Ly).
(ii) In chapter I, a simple argument led us in (C-17) to 4x . 4k ~ 1, without making any
articular hypothesis about g(k), except for saying that g(k) has a peak of width Ak
whose shape is that of figure 3 of chapter I (which is indeed the case in this complement).
Then how did we obtain 4x . 4k > 1 (for example, for a gaussian wave packet when 1
is large)?
‘Of course, this is only an apparent contradiction. In chapter I, in order to
find dx. 4k = 1, we assumed in (C-13) that the argument a(k) of g(k) could be approxi-
‘mated by a linear function in the domain Ak. Thus we implicitly assumed a supplementary
typothess: thatthe nonlinear terms make a negligible contribution fo the phase of g(F)
in the domain 4k, For example, for the terms which are of second order in (k — ko),
it is necessary that:
af] <2 2)
_
If, on the contrary, the phase a(k) cannot be approximated in the domain 4k by a linear
function with an error much smaller than 2x, we find when we return to the argument
of chapter I that the wave packet is larger than was predicted by (C-17).
Ine neothe roa wave pcetsetintisconplenet rhe k=
we r
and afl) = — = ¢. Consequently, condition (22) can be written @ ™ 2x. Indeed,
‘we can verify from (20) that, as long as this condition is fulfilled, the product 4x . Ak is
approximately equal to 1.
66 Complement H;
STATIONARY STATES OF A PARTICLE
IN ONE-DIMENSIONAL SQUARE POTENTIALS
1. Behavior of a stationary wave function 9(x)
a. Regions of constant potential energy
b. Behavior of (x) at a potential energy discontinuity
©. Outline of the caleulation
2. Study of certain simple cases
a. Potential steps
. Potential barriers
€., Bound states; square well potentials
We saw in chapter I (cf. § D-2) the interest in studying the motion of a particle
in a “square potential” whose rapid spatial variations for certain values of x
introduce purely quantum effects. The shape of the wave functions associated with
the stationary states of the particle was predicted by considering an optical
analogy which enabled us to understand very simply how these new physical
effects appear,
In this complement, we outline the quantitative calculation of the stationary
states of the particle. We shall give the results of this calculation for a certain
number of simple cases, and discuss their physical implications. We limit ourselves
to one-dimensional models (cf. complement F,).
1, Behavior of a stationary wave function 9(x)
8. REGIONS OF CONSTANT POTENTIAL ENERGY
In the case of a square potential, (x) is a constant function V(x) = V
in certain regions of space. In such a region, equation (D-8) of chapter 1
can be written:
d@ 2
qa) + FEV) ob) = 0 )
We shall distinguish between several cases :
WE>V
Let us introduce the positive constant k, defined by
Atk?
om Q)
The solution of equation (1) can then be written:
ols) = Ae + A’ et @)
where 4 and 4’ are complex constants.
61 This condition corresponds to regions of space which would be forbidden
to the particle by the laws of classical mechanics. In this case, we introduce
the positive constant p defined by:
Hp?
v-E=52 Co)
and the solution of (1) can be written:
(x) = Bem + Breer ©)
where B and B' are complex constants.
(iii) E = V. In this special case, (x) is a linear function of x.
b. BEHAVIOR OF o(x) AT A POTENTIAL ENERGY DISCONTINUITY
How does the wave function behave at a point x = x, where the potential
V(x) is discontinuous? It might be thought that at this point the wave function g(x)
would behave strangely, becoming itself discontinuous, for example. The aim
of this section is to show that this is not the case : g(x) and dg/dx are continuous,
and it is only the second derivative d7g/dx? that is discontinuous at x = x;
Without giving a rigorous proof, let us try to understand this property. To do this,
recall that a square potential must be considered (chap I,§ D-2a) asthe limit when ¢ > 0,
of a potential V,(x) equal to V(x) outside the interval [x, — x, +e], and varying contin-
ously within this interval. ‘Then consider the equation
2 2m
ote) + TE - vesilo(oy = 0 ©
dx! w
where F(x) is assumed to be bounded, independently of «, within the interval [x, — «x, + ¢]-
Choose a solution 9,(x) which, for x < x, — 6, coincides with a given solution of (1), The
problem is to show that, when 2 —» 0, g,(x) tends towards a function g(x) which is continuous
and differentiable at x = x,. Let us grant that g,(x) remains bounded, whatever the value of e,
in the neighborhood of x = x,*. Physically, this means that the probability density remains
finite. Then, integrating (6) between x, — and x, + , we obtain.
4 mene
$25 ¢x, — = 22 [ux — E]o.c) dx o
ee,
ele tn) =
ne
At the limit where ¢ —> 0, the function to be integrated on the right-hand side of this
expression remains bounded, owing to our previous assumption. Consequently, if 7 tends
towards zero, the integral also tends towards zero, and:
do 4
Les +9- Pes - m0 ®
* This point could be proved mathematically from the properties ofthe differential equation (1), ONE-DIMENSIONAL SQUARE POTENTIALS
Thus, at this limit, dg/de is continuous at x = x,, and so is p(x) (since it is the integral of a
continuous function). On the other hand, d?9/dx? is discontinuous, and, as can be seen directly
2m,
from (1), makes a jump atx =, which sequal to o,) [where , represens the change
in Ve) at x = x4).
COMMENT
It is essential, in the preceding argument, that Vi(x) remain bounded.
In certain exercises of complement Ky, for example, the case is considered
for which V(x) = 24(x), an unbounded function whose integral remains
finite, In this case, g(x) remains continuous, but dg/dx does not.
© OUTLINE OF THE CALCULATION
The procedure for determining the stationary states in a “square potential”
is therefore the following : in all regions where V(x) is constant, write g(x) in
whichever of the two forms (3) or (5) is applicable; then “match” these functions
by requiring the continuity of g(x) and of dy/dx at the points where V(x) is
discontinuous.
2. Examination of certain simple cases
Let us now carry out the quantitative calculation of the stationary states,
performed according to the method described above, for all the forms of V(x)
considered in § D-2-c of chapter I. Thus we shall verify that the form of the
solutions is indeed the one predicted by the optical analogy.
4. POTENTIAL STEPS
FiouRe |
Potential step.
a. — Case where E > Vj: partial reflection
O)
ky (10)
o COMPLEMENT Hy
‘The solution of (1) has the form (3) in the two regions I (x < 0) and II (x > 0):
dx) = Aye + Ape ay
ux) = A, el + Abe (12)
Since equation (1) is homogeneous, the calculation method of § 1-c can only
enable us to determine the ratios 4j/A,, A,/A, and 43/4. In fact, the two
matching conditions at x = 0 do not suffice for the determination of these three
ratios. This is why we shall choose 4; = 0, which amounts to limiting ourselves
to the case of an incident particle coming from x= — oo. The matching
conditions then give:
Ar =k
A, ky FR (13)
A, 2s a)
(x) is the superposition of two waves. The first one (the term in 4,)
corresponds to an incident particle, with momentum p = hk,, propagating from
left to right. The second one (the term in 4;) corresponds to a reflected particle,
with momentum — fik,, propagating in the opposite direction. Since we have
chosen 45 =0, y(x) consists of only one wave, which is associated with
a transmitted particle. We shall see in chapter III (cf. § D-I-c-B) how it is
possible, using the concept of a probability current, to define the transmission
coefficient 7 and the reflection coefficient R of the potential step (see also
§ 2 of complement B,,,). These coefficients give the probability for the particle,
arriving from x = — co, to pass the potential step at x = 0 or to turn back.
Thus we find:
(15)
6)
Taking (13) and (14) into account, we then have:
Ra1-—4hke_ (a7)
(ky + kay
— Ale (1g)
(ky + kay
It is easy to verify that R + T= 1: itis certain that the particle will be either
transmitted or reflected. Contrary to the predictions of classical mechanics,
the incident particle has a non-zero probability of turning back. This point
was explained in chapter I, using the optical analogy and considering the reflection
* The physical origin ofthe factor &,/k, which appears in T'is discussed in § 2 of complement J, of a light wave from a plane interface (with n, > n,). Furthermore, we know that
in optics, no phase delay is created by such a reflection ; equations (13) and (14)
do indeed show that the ratios 4,/4, and 4,/4, are real. Therefore, the quantum
particle is not slowed down by its reflection or transmission (cf. complement J,,
§ 2). Finally, it is easy to verify, using (9), (10) and (18), that, if E> %, T= 1
when the energy of the particle is sufficiently large compared to the height
of the potential step, the particle clears this step as if it did not exist.
B. Case where E < Vo; total reflection
We then replace (10) and (12) by:
mv, — E)
ve he
u(x) = Bye + Bye? (20)
Pa a9)
For the solution to remain bounded when x —> + co,
is necessary that:
B,=0 an
The matching conditions at x = 0 give in this case =
t
or (22)
4 (22)
By
2 = 1 (23)
A, ky + ips Cy
The reflection coefficient R is then equal to:
Ail? _ | ki = ipo |
Balad = lh Fi, a
‘As in classical mechanics, the particle is always reflected (total reflection),
Nevertheless, there is an important difference, which has already been pointed
out in chapter 1: because of the existence of the evanescent wave e7?, the
particle has a non-zero probability of presence in the region of space which,
classically, would be forbidden to it. This probability decreases exponentially
with x and becomes negligible when x is greater than the “range” 1/p, of
the evanescent wave. Note also that the coefficient 4;/4, is complex. A certain
phase shift appears upon reflection, which, physically, is due to the fact that the
particle is delayed when it penetrates the x > 0 region (cf. complement J, § 1
and also By, § 3). This phase shift is analogous to the one which appears
when light is reflected from a metallic type of substance; however, there is no
analogue in classical mechanics.
COMMENT
When VY, —> + 00, pp —» + 00, so that (22) and (23) yield :
Ay - A,
a = (25)
7
Comrannocn — Quit mechanis ~ 1 5 COMPLEMENT Hy
In the x > 0 region, the wave, whose range decreases without bound, tends
towards zero. Since (4, + 4) ~> 0, the wave function @(x) goes to zero
at x = 0, so that it remains continuous at this point. On the other hand, its
derivative, which changes abruptly from the value 2ik A, to zero, is no longer
continuous. This is due to the fact that since the potential jump is infinite
at x = 0, the integral of (7) no longer tends towards zero when 1 tends
towards 0.
b. POTENTIAL BAANIERS
~T 2 ‘Square potential barrier.
ase where E > V,* resonances
Using notations (9) and (10), we find, in the three regions I (x <0),
WO
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