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Chapter 3
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Applications
3.1 Introduction
In this chapter and the next, we will discuss the theory of orthogonal
polynomials and their applications to some problems in Physics. We will
essentially discuss the case of Hermite and Laguerre polynomials (HP ,
LP ) and touch on the other families.
101
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we obtain
n
b2c
X xn−2 s y s
Hn (x, y) = n! , Hn (x, 0) = xn . (3.1.4)
(n − 2 s)! s!
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s=0
The above family of polynomials are not the HP in their canonical form but
belong to the Hermite like polynomial families. As already mentioned, they
are known as the heat polynomials since they provide a natural solution to the
heat equation and, as we will show in the following, they are not orthogonal
for all the values of the y coordinate. In Fig. 3.1, we have reported that the
first four heat polynomials (3.1.4)2 vs. the variable x for two different values
of y will play the role of variable or of parameter.
2
H0 (x, ±y) = 1, it is not reported in Fig. 3.1.
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The operational definition (3.1.1) greatly simplifies the study of the prop-
erties of HP and of their generalizations as well. From this definition, it is
evident that
y ∂x2 n+1
h y ∂ 2 −y ∂ 2 i y ∂ 2 n h 2
y ∂x −y ∂x2
i
Hn+1 (x, y) = e x = e xe x x e (x ) = e x e
x Hn (x, y).
(3.1.5)
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These two recurrences can be combined to prove that the heat polynomials
satisfy the ODE (
2 y z 00 + x z 0 = n z
. (3.1.9)
z = Hn (x, y)
In the above equation, the derivative taken with respect to the x and y is
viewed as a parameter.
p0 (x) = 1 (3.1.12)
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M̂ n 1 = pn (x) (3.1.13)
M̂ = x + 2 y ∂x , P̂ = ∂x (3.1.15)
and
M̂ P̂ = x ∂x + 2 y ∂x2 . (3.1.16)
Therefore, HP are eigenfunctions of the operator (3.1.16) with (real) eigen-
values “n” 3 .
considered.
where in the last two steps eq. (2.4.16) and (2.4.17) have been used, respec-
tively. Therefore, we get4
∞
X tn 2
Hn (x, y) = ex t+y t . (3.2.5)
n=0
n!
2
4
It is to be noted that e2 y t ∂x ey ∂x 1 = 1 .
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∞
X ∞
X
s
S1 = bs x , S2 = ar x r , (3.2.6)
s=0 r=0
we obtain ∞ X
∞
X
S1 S2 = bs ar xr+s (3.2.7)
s=0 r=0
Therefore, we can directly derive the HP from the generating function (3.2.5)
∞ r ∞ 2s ∞ X
∞ r+2 s
x t+y t2 x t y t2
X t r
X t s
X t
e =e e = x y = xr y s (3.2.9)
r=0
r! s=0
s! r=0 s=0
r! s!
n=0 −∞
following result r
π 1
In (a, b) = Hn b, . (3.2.13)
a 4a
The further two properties
2 2
∂xn ea x = Hn (2 a x, a) ea x , (3.2.14)
an Hn (x, y) = Hn (a x, a2 y), (3.2.15)
can be proved by means of the generating function method. The eq. (3.2.14)
is indeed easily proved as a consequence of the properties of the shift opera-
tors. We find
∞ ∞
X tn 2 2 2
X tn 2
∂xn ea x = et ∂x ea x = ea (x+t) = Hn (2 a x, a) ea x , (3.2.16)
n=0
n! n=0
n!
trivial ordering problem and yields an idea of how the HP appear, in a quite
natural way, in manipulating expressions containing multiplicative deriva-
tive operators. The problem consists in finding the analogous of the Newton
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Ôn = (α ∂x + β x) n . (3.2.19)
which, after applying the Cauchy product formula and comparing with eq.
(3.2.20), yields
n
X n s 1
Ôn = α Hn−s β x, α β ∂xs (3.2.22)
s=0
s 2
s=0
s 2
(3.2.23)
1 2
= Hn (β − 2 α) x, α (β − 2 α) e−x .
2
We will discuss further examples of applications of the generating function
method in the second part of this book.
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∞
X
F (x) = an Hn (x, − |y|) . (3.3.1)
n=0
Our task is now to evaluate the coefficients an of the above expansion. Ac-
cording to the definition (3.1.1), we can recast (3.3.1) in the form
∞
−|y| ∂x2
X
F (x) = e an xn (3.3.2)
n=0
X xn ∞ Z ∞
1 σ 1 σ2
Φ(x) = p Hn ,− e− 4|y| F (σ)dσ (3.3.5)
2 π |y| n=0 n! −∞ 2 |y| 4 |y|
7
are bi-orthogonal to the Hermite polynomials Hn (x, − | y |) . In morecon-
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x 1
ventional terms, we can state that the polynomials Hn ,− are
2|y| 4|y|
x2
orthogonal to the Hn (x, − | y |) with weight function e− 4|y| . The canonical
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is also used and we will adopt both notations. These two forms are linked by
the identity
n x
Hn (x) = 2 2 Hen √ (3.3.10)
2
and, furthermore, the link of the Hn (x, y) to the Hermite canonical form is
provided by
n n ix n n x
Hn (x, y) = (−i) y 2 Hn √ , Hn (x, y) = i (2y) 2 Hen √ .
2 y i 2y
(3.3.11)
As it can be easily checked, the above relations are a straightforward conse-
quence of the previously outlined properties.
Further comments on the connection between the various forms are dis-
cussed in the following.
7
Rb
Two sets of functions γn (x), λn (x) are said bi-orthogonal if a γn (x)λm (x) = δn,m .
For example sin(nx), cos(nx) are bi-orthogonal in the interval [0, 2π].
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Let us now derive the differential equation satisfied by the function (3.3.7).
It will be determined by means of a simple but effective procedure. From eq.
(3.3.7), one has
x 1 x2 p
Hn ,− = An e 4|y| ϕn (x), An = 2 n! π |y|. (3.3.12)
2 |y| 4 |y|
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2y 2
ĥer (a, b)Hn (a x, y) = 0, ĥer = ∂ + x ∂x − n. (3.3.13)
a2 x
and thus, for ϕn (x), we obtain the second order differential equation with
non constant coefficients
− 2 |y| ∂x2 − x ∂x − 1 ϕn = n ϕn .
(3.3.15)
This result means that the function ϕn is the eigenfunction with eigenvalue
n of the operator
η̂her = −2 |y| ∂x2 − x∂x − 1
(3.3.16)
which, for y < 0, is the hermitian conjugate of the operator in eq. (3.1.16)8 .
Let us now consider the case of the canonical Hermite polynomials with
y = − 21 and define the function
x2
Φn (x) = αn Hen (x) e− 4 (3.3.17)
8
We remind that the hermitian conjugate of the product of two operators is
(ÂB̂)+ = B̂ + Â+ and being x̂+ = x̂ and ∂x+ = −∂x , we find (x ∂x )+ = −∂x x . . .
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x2
ϕn (x) ∝ Φn (x) e− 4 .
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(3.3.18)
x2
1
Φ00n (x) − − n+ Φn (x) = 0 (3.3.19)
4 2
Exercise 24. Proof that eq. (3.3.20) provides an orthonormal set in the
sense that Φn (x) are orthogonal and normalized to the unity.
In Fig. 3.2 we have shown the behavior of the first six harmonic oscillator
eigenfunctions and we will go more deeply into their physical meaning in the
next section.
2 −y t2
(hint: use the generating function method and note that ex t = ex t+y t ).
9
Their physical meaning will be discussed in the second part of the book.
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(a) n = 0, 1, 2. (b) n = 3, 4, 5.
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p̂2 1
Ĥ = + k x̂2 . (3.4.1)
2m 2
The associated Schröedinger equation writes
~2 2 1
i ~ ∂t Ψ = − ∂x Ψ + k x 2 Ψ (3.4.2)
2m 2
and its stationary solution can be cast in the form
En t
Ψ(x, t) = e−i ~ Φn (x) (3.4.3)
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~2 00 m ω2 2
En Φn (x) = − Φn (x) + x Φn (x), (3.4.4)
2m 2
q
k
where ω = m is the characteristic frequency of our problem. Eq. (3.4.4)
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r
~
xq = (3.4.5)
mω
has the dimensions of a length (its physical meaning will be discussed below)
and by rewriting eq. (3.4.4) in terms of the variable ξ = xxq , we find
En 1 1
Φn (ξ) = − Φ00n (ξ) + ξ 2 Φn (ξ), (3.4.6)
~ω 2 2
with the energy eigenvalues En which can be written in terms of the charac-
teristic frequency as
1
En = ~ ω n + . (3.4.7)
2
In Fig. 3.3, we have reported the quadratic potential, the energy levels and
the first eight wave functions. It is evident that the larger the order of the
excitation, the larger the spatial extension of the distribution function. It
must be stressed that the 0-order eigenfunction, i.e. the lowest energy level,
is specified by
x2
−
2 x2
Φ0 (x) ∝ e q , (3.4.8)
i.e. a wave packet with an r.m.s. proportional to xq .
Figure 3.3: Energy levels, harmonic oscillator potential and the first eight eigenfunctions
vs. the position coordinate
To prove the correctness of the previous identity, we use the generating func-
tion method, according to which we find10
∞
X tn n + √t (ξ−∂ξ )
2
− t4 + √t ξ − √t ∂ξ
â+ Φ0 (ξ) = et â Φ0 (ξ) = e 2 Φ0 (ξ) = e 2 e 2 Φ0 (ξ)
n=0
n!
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2
2
t 2
− t4 + √t ξ − t4 + √t ξ − 12 ξ− √t2
=e 2 Φ
0 ξ − √ =e 2 e
2
∞ √ ξ 2
2 √ 2
− t2 + 2 t ξ − ξ2
X tm
=e e = Hem 2 ξ e− 2 .
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m=0
m!
(3.4.14)
From the comparison between the same power coefficients, we obtain the
proof of the identity (3.4.13) which also yields
√
â+ Φn = n + 1 Φn+1 . (3.4.15)
For this reason, we will refer to â+ as the “creation” operator. Along the
same line, the companion identity for the “annihilation” operator can also
be checked by the use of the same proedure as before
√
â Φn = n Φn−1 . (3.4.16)
We have thus shown that three operators play a fundamental role in the
quantum harmonic oscillator dynamics: the hermitian conjugate creation-
annihilation partners (some times called ladder operators) and the hermitian
operator â+ â, called the number operator11 .
h m | n i = δm, n . (3.4.18)
10
The proof is just sketched. Particular attention should be devoted to the algebraic
steps, namely correct expression in the Hn (x) basis, normalization constants, . . .
11
See next sections for furthermore physical meaning.
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In eq. (3.4.17), we have kept separate the |0i state which denotes the so
called vacuum state. In more rigorous terms the correspondence between
Dirac (also called n-states) and the harmonic oscillator eigenfunctions should
be written as
h ξ | n i = Φn (ξ). (3.4.19)
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This aspect of the problem will be more carefully discussed in the second
part of the book, with the introduction of the so called coherent states.
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p̂2 1
Ĥ = + k x̂2 − e E x̂, (3.5.1)
2m 2
where the electric field E is constant and homogeneous, i.e. it is indepen-
dent of time and coordinates. The difference with the case we have already
studied is the presence of a linear potential, accounting for the effect of the
electric field.
The above problem can be easily turned into an ordinary harmonic oscillator
problem by recasting the above Hamiltonian in the form
2
p̂2 m ω2 (e E)2
eE
Ĥ = + x̂ − 1̂ − 1̂. (3.5.2)
2m 2 m ω2 2 m ω2
The last term in eq. (3.5.2), multiplied by the unit operator, is a constant
with the dimension of the energy, while
eE
xs = (3.5.3)
m ω2
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is a coordinate shift induced by the presence of the electric field. Since the
electric field is constant and homogeneous, the rearrangement of the Hamil-
tonian in the form (3.5.2) suggests that the introduction of the coordinate
operator
eE
X̂ = x̂ − 1̂ (3.5.4)
m ω2
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a) The energy eigenvalues are the same as before but with an additional
term due to the effect of the electric field, namely
(e E)2
1
En = ~ ω n+ −r , r= . (3.5.6)
2 2 m ~ ω3
b) The eigenfunction remain the same but the argument should be re-
placed by12
xs √
ξ → ξ − ξ0 , ξ0 = = 2 r. (3.5.7)
xq
where A~ is the vector potential. By assuming that the magnetic field is di-
rected along the z direction and that the electron motion occurs in the x, y
plane
~ =∇
B ~ × A,
~ (3.5.9)
12
Along with the understanding of the mathematical details, the reader should go
through physical meaning of the coefficient r.
September 18, 2019 14:57 Mathematical Methods for Physicists 9.61in x 6.69in b3642-main page 119
~ as13
we can write A
~ ≡ (0, B x, 0).
A (3.5.10)
The Hamiltonian can therefore be written as
(q B)2
1 2 2
qB
Ĥ = p̂x + p̂y − x̂ p̂y + x̂2 . (3.5.11)
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2m mc 2mc 2
Since the operator p̂y commutes with the Hamiltonian, we can conclude that
the momentum along the y direction is a conserved quantity and it can be
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(~ ky ) 2 1
1
En = ~ ωc n + + + m ωc2 x2B , (3.5.14)
2 2m 2
De is the well depth (defined relative the dissociated atoms) and a accounts
for the “width” of the potential. The dissociation energy of the bond can be
calculated by subtracting the zero point energy E(0) from the depth of the
well. By expanding V (r) up to the lowest order in (r − re ), we get
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The Morse potential energy levels are not equally spaced as in the case of
the harmonic oscillator potential and their separation decreases as the energy
approaches to the dissociation energy14 .
It is worth to prove that the lowest order levels are well approximated by
r
1 2 De
En = ~ ω n + , ν=a , (3.5.17)
2 m
14
The dissociation energy De is larger than the true energy required for dissociation D0
due to the zero point energy of the lowest (n = 0) vibrational level.
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of Harmonic Oscillators
From the eq. (3.4.10), the position and momentum operators can be writ-
ten in terms of the creation-annihilation operators as follows
1 1
ξˆ = √ (â + â+ ), ∂ξ = √ (â − â+ ). (3.6.1)
2 2
Let us now consider a Hamiltonian operator ruling a process of dipole tran-
sitions between equally spaced quantum levels. Such an operator can be cast
in the form
Ĥ = ~ Ω ξˆ (3.6.2)
and the associated Schrödinger equation can be written as
Ω
i ∂t Ψ(ξ, t) = √ (â + â+ ) Ψ(ξ, t), (3.6.3)
2
which can be understood as a process in which a harmonic oscillator level
is created or destroyed as it happens during the process of creation or de-
struction of photons in an electromagnetic process. Eq. (3.6.3) admits the
solution
(â+â+ )
−i Ω t √
Ψ(ξ, t) = e 2 Ψ(x, 0) (3.6.4)
i.e. assuming that the initial state is the vacuum, using the Dirac notation,
we can write
(â+â+ )
−i Ω t √
| α(t) i = e 2 | 0 i. (3.6.5)
The explicit solution in the form (see eq. (2.4.22)) can be easily obtained
(hint: remind what we have learned about operator ordering and disentan-
glement rules.)
(Ω t)2 â+ â
−i Ω t √ −i Ω t √
| α(t) i = e− 4 e 2 e 2 |0i (3.6.6)
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yields
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∞
−
(Ω t) 2 −i Ω t â
√
+
−
(Ω t) 2 X (−i Ω t)r + r
| α(t) i = e 4 e 2 |0i=e 4 √ (â ) | 0 i =
r=0
r! 2r
∞ (3.6.8)
(Ω t) 2 (−i Ω t) r
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X
−
=e 4 √ | r i.
2r r!
r=0
(Ω t) 2 (Ω t) 2 m
Pm (t) = |hm | α(t)i|2 = e− 2 . (3.6.9)
2m m!
This expression, which is a consequence of the orthogonality property (3.4.18),
is recognised to be a Poisson distribution and the probabilities of finding
quantum harmonic oscillators excited levels 0, 1, 2, . . . are shown in Fig. 3.5.
of the property of these states is that they are eigenstates of the annihilation
operator. From the previous equations, we find15
∞ ∞
(−i Ω t) r (Ω t) 2 X (−i Ω t) √
(Ω t) 2
X r
â|α(t) i = e− 4 √ â | r i = e− 4 √ r | r − 1i =
2r r! 2r r!
r=0 r=0
∞ r
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(Ω t) 2 X (−i Ω t) Ωt
= e− 4 p | r − 1 i = c | α(t) i, c = −i √ .
r=0 2r (r − 1)! 2
(3.6.10)
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2
On the other side the same procedure, applied to the n-states, it is shown
that the uncertainty increases with the order of the level
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~ ~
σx2 σp2x
n
=
(2 n + 1), n
= (m ω) (2 n + 1),
2mω 2
(3.6.19)
~
(σx σpx )n = (2 n + 1).
2
This means that, with increasing n, the wave function is more and more
spread in both position and momentum. On the contrary, we have found
that coherent states have the peculiarity of being states of minimum uncer-
tainty. Among the quantum states, they are those closer to a classical system.
This statement is however very qualitative and some further comments are
in order. In Fig. 3.6, we have reported a comparison between classical and
quantum probability for the harmonic oscillators (see Rem. 1 for more de-
tails).
(a) n = 0. (b) n = 1.
(c) n = 2. (d) n = 3.
(e) n = 10.
Figure 3.6: Comparison between classical and quantum probability for the harmonic os-
cillators for different values of n.
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in the region of space where its velocity is lower. With reference to Fig. 3.3
where we have reported the quadratic potential, the probability density P (x)
is maximum near the external points where the velocity vanishes. The analyt-
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ical derivation of P (x) is given below. We note that the probability of finding
a particle of crossing the position ∆x in the time interval ∆t is
∆t
P (x)∆x = 2 , (3.6.20)
T
where T is the oscillation period and the factor 2 is due to the fact that the
particle crosses the same region twice. It is accordingly evident that
2 ∆t 2
P (x) = lim = . (3.6.21)
T ∆t→0 ∆x T | ẋ |
It should now be reminded that for a classical harmonic oscillator, we have
the total energy of a particle with mass m undergoing a quadratic potential
to be
1 1
E = mẋ2 + xx2 . (3.6.22)
2 2
We can accordingly specify the quantities appearing in eq. (3.6.21) as
r
2π k √ 2E
T = , ω= , | ẋ |= ω a2 − x2 , a2 =
ω m mω 2
(3.6.23)
thus getting
1
P (x) = √ . (3.6.24)
π a2 − x 2
To make the comparison between classical and quantum probabilities, we note
that by replacing E with the corresponding quantum value, we get
~
a2 = σx2 (2n + 1) , σx2 = . (3.6.25)
2mω
a2
By using the quantity , we obtain the reference dimensionless position
σx2
interval in which we compare the quantum and classical probabilities.
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netic field ensures the coupling between upper and lower levels.
a) The term ĤF accounts for the free energy of the system, consisting of
two contributions: the first associated with electromagnetic field (given
by ~ ν â+ â, related to the total number of photons nf ) and the second
with the two-level part (given by ~ ν σ̂z ). We emphasize that the op-
erator σ̂z is associated with nl , i.e. the population difference between
excited and ground states.
b) The term ĤI describes the coupling between the two-levels, as illus-
trated in Fig. 3.7. The operator â σ̂+ corresponds to the absorption
(destruction) of a photon and the consequent excitation of a two-level
system to the upper state. The hermitian conjugate part â+ σ̂− accounts
for the creation (emission) of a photon and the de-excitation from the
upper state.
Exercise 27. Prove that the total Hamiltonian commutes with the field part,
namely h i
Ĥ, ĤF = 0 (3.7.2)
and that this corresponds to the following relation of conservation
nf + nl = k, (3.7.3)
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whose physical meaning is quite obvious: photons are created at the expense
of the destruction of excited levels and vice versa.
The previous “law” of conservation is extremely useful because it allows
the characterization of the dynamics of the system in terms of a single quan-
tum number which is the number of photons n exchanged during the interac-
tion. We can therefore write the physical states on which the JC Hamiltonian
acts as it follows
|n+1i
Ψ= (3.7.4)
|ni
(the upper level is indeed characterized by the presence of an extra photon).
Exercise 28. Prove that the matrix element yielding the transition between
two states is just given by
√
1
n + 2 ~ ω ~g n + 1
hΨ|H|Ψi= √
(3.7.5)
1
~g n + 1 n+ ~ω
2
and that the energy eigenvalues characterizing upper and lower levels are
1 p
E± (n) = n + ~ ω ± ~ Ω(n, δ), Ω(n, δ) = δ 2 + 4 g 2 (n + 1).
2
(3.7.6)
Find the link with the obtained results in the case of classical electromagnetic
field.
September 18, 2019 14:57 Mathematical Methods for Physicists 9.61in x 6.69in b3642-main page 129
prove that the solution of this equation is compatible with a slightly more
complicated form, involving Hermite polynomials. These solutions will be
called Hermite Gaussian beams. Thus, we consider the heat equation
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The evaluation of the above integral is carried out by the use of the generating
function method, namely
∞ ∞
λn
Z
X 1 (x−ξ)2 2 ξ2
I(x, t, λ) = Fn (x, t) = √ e− 4αt e2 λ β ξ−λ e− σ2 d ξ.
n=0
n! 2 παt −∞
(3.8.3)
The problem can therefore be easily solved using the rules of integration of
Gaussian functions. Therefore we find
2 2 !
2
σ σ σ − x
Fn (x, t) = Hn 2 β x , 4 α β2 t − 1 e σ(t)2 ,
σ (t) σ(t) σ(t) (3.8.4)
√
σ(t) = σ 2 + 4 α t
According to the previous result, we can write the solution of the Helmholtz
equation (2.5.2) as
√ ! √ !
W0 2x 2x
Fl, m (r, z) = F0 Hl Hm ·
W (z) W (z) W (z) (3.8.6)
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r2 r2
−
·e W/z)2 e−i φ−i k 2 R(z) +i ζ(z) (l+m+1)
16
T EM stands for transverse electric magnetic and is due to the fact that these modes
are solutions of the Maxwell equations.
September 18, 2019 14:57 Mathematical Methods for Physicists 9.61in x 6.69in b3642-main page 131
Bibliography
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Monomiality
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