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A.N. Njah,
Department of Physics,
University of Agriculture,
Abeokuta, NIGERIA
PHS 411: Symmetry in quantum mechanics. Fundamentals of quantum mechanics - okperations in Hilbert space. Matrix formulation of quantum mechanics. Angular momentum in quantum mechanics; approximation methods
in collision theory. Many electron systems. Scattering theory.
Suggested reading.
1. Quantum Mechanics by L. I. Schi
2. Quantum Mechanics by E. Merzbacher
3. Schaums Outline of Theory and Problems of Quantum Mechanics by
Y. Peleg, R. Pnini and E. Zaatur
Contents
Chapter 1
APPROXIMATION METHODS
1.1
VARIATIONAL METHOD
This method is applicable to conservative systems. Consider a physical system with time-independent Hamiltonian H. We assume for simplicity that
the entire spectrum of H is discrete and non degenerate
(H|n = En |n ),
n = 1, 2, 3...
(1.1)
Let Eo be the smallest eigenvalue of H (i.e, the smallest energy of the system).
An arbitrary state | can be written in the form
| =
Then
|H| =
n
n
cn |n
|cn |2En Eo
n
(1.2)
|cn |2
|cn |2
(1.3)
(1.4)
|H|
Eo
|
(1.5)
Equation (6.5) is actually a part of a more general result called the Ritz
theorem. The mean value of the Hamiltonian H is stationary in the neighborhood of its discrete eigenvalues.
The variational problem can therefore be generalized to provide an estimation for other energy levels based on the ground state. If the function
H() obtained from the trial kets |() has several extrema, they give
approximate values of some of its energies En .
Examples 1. Consider a 1D harmonic oscillator
1
h2 d2
mw2 x2
+
H=
2
2m dx
2
2
(a) For the one-parameter family of wave functions (x) = ex ( > 0),
nd a wave function that minimizes H. What is the value of H min?
2
(b) For another one parameter family of wave functions (x) = xex ( >
0), nd a wave function that minimizes H and compute the value of H
min.
(c) Repeat the same procedure for
(x) =
1
x2 +
( > 0)
Solution
(a) We begin by considering H.
H =
1
h2 d2
2 2
2m dx2 + 2 mw x (x)dx
(x) (x)dx
h
2
1 mw2
=
+
2m
8
We dierentiate H with respect to
h
2
1 mw2
dH
=
d
2m 8 2
From the condition
dH
d =o
= 0, we have
h
2
mw2
mw
;
=
0
=
o
2m
8o2
2h
4
thus o gives the minimum value of H. The wave function that minimizes
mwx2
H is o (x) = e 2h and
Hmin
h
2
mw2
1
o +
w
=
= h
2m
8o
2
Thus Hmin coincides with the energy of the n=0 level of a 1D harmonic
oscillator. Note that the family of functions we are studying coincides with
the ground state wave function of the harmonic oscillator.
(b) We proceed with the same method as in part (a).
H =
1
h2 d2
2 2
2m dx2 + 2 mw x (x)dx
(x) (x)dx
3 mw2
h
2
=3 +
m
8
and
dH 3h2 3m 2 1
=
=0
d
2m
8 2
2
mx /2h
We obtain o = 12 m
; so Hmin equals the energy
h and o (x) = xe
1
h2 d2
2 2
2m dx2 + 2 mw x (x)dx
(x) (x)dx
h
2 1 1
+ mw2
=
2m 2
and
o (x) =
x2 + h
2/ 2m
1 h
o =
2 m
+
x
(x)dx
2m dx2
H =
(x)(x)dx
The denominator equals one since (x) is normalized; thus
1
2 1
2 1
h
2 d2 2 14 x2
4 x2
4 x2
4 2 4 x2
e
e
dx+
e
x
e
dx
H =
2m dx2
2
2
h
2
2
2x2
2
e
2[2x 1]dx +
x4e2x dx
=
2m
2
2
2
2
h
(2)
2
h
(4 )
2
2
2 2x2
2x2
xe
dx+
e
dx+
x4 e2x dx
=
2m
2m
h
2
h
2 (42)
h
2 (42)
2x2 2
2 1
=
e
x dx =
I1
2m
2m
4 2
2m
h
2
h
2(2)
h
2 (2)
2x2
2
=
e
dx =
I2
2m
2m
2
m
2
2
x4e2x dx
2
3
3
=
4(2)2 2 162
+
=
H =
2m
m
162
2m
16 2
h2
3
=
Hence, dH
d
2m 8 3o .
1
3m 3
o = 4h2 . In terms of
Since
dH
d =
= 0, we obtain
2
h
2m
1
3
8 3o
= 0
Hmin
3 1 h
h
2 1
2 1
k 3 = 1.082 k 3
= 33
4 2m
2m
6
Comparing the last result to the exact value of Eo we see that we have quite
a good approximation. The error is approximately 2 percent.
3.(a) Taking a trial wave function proportional to exp(r) , where is a
variable parameter, use the variational method to obtain an upper limit for
the energy of the ground state of the hydrogen atom in terms of atomic constants.
(a) The upper limit of the ground state is the minimum value of the expectation value of the energy as varies. Denote the trial wave function
by
= A exp(r)
where A is a constant. Its value is obtained from the normalizing condition.
Since depends only on r, we put d3 r = 4r2 dr. Therefore, the normalization
condition yields,
4A
r2 exp(2r)dr
0
8A2
=1
=
(2)3)
Thus
3
A =
(1)
e2 1
h
2 2
(2)
H=
2m
4 o r
The expectation value of the energy for the function is
h
2 2
e2 1
E = 4A
exp(r)
exp(r)r2dr
(3)
0
2m
4 o r
Since exp(r) depends only on r, we need only the r- dependent part of the
operator
2
2
2
exp(r) =
+
exp(r
(4)
r2 r r
Inserting (1) and (4) in (3) gives
2
E =
=
=
h2 2 2
2m 0 r exp(2r)dr
2
h
e2
+ m 4o 0 r exp(2r)dr
2 2
h
e2
m
4o
2
h
e2
2
2m 4o
h
2m
2 +
Then
2
e2
dE h
=
d
m
4 o
which is
me2
0, when =
4 o h
2
Inserting this in the expression for E gives
Emin
me e2 2
= 2
2h 4 o
e2 1
8 o ao
1.2
WKB stands for the names of the proponents: Wentzel, Kramer and Brillouin. The method is suitable for obtaining solutions of the one-dimensional
..
Schrodinder equation as well as the 3-dimensional problems, if the potential
is spherically symmetric and a radial deerential equation can be separated.
That is, it is applicable to situations in which the wave can be separated
into one or more total dierential equations each of which involves a single
independent variable.
..
Consider the Schrodinger equation in one-dimention:
d2 2m
+ 2 [E V (x)](x) = 0
dx2
h
Let
k(x) =
(x) =
1
h
(1)
i
h
(2)
(3)
du 2
d2 u
+ [hk(x)]2 = 0
(4)
ih 2
dx
dx
In the WKB approximation we expand u(x) in power series of h
as follows:
u(x) = u0 + h
u1 + h
2 u2 + . . .
(5)
d2 u 0
du0
h
i 2 + 2
dx
dx
du1
dx
du0
dx
2
+ [hk(x)]2 = 0
(6)
(7)
iu0 2u0u1 = 0
(8)
x
k(x)dx + c1
(9)
1
u1(x) = i ln k(x) + c2
(10)
2
where c1 and c2 are arbitrary constants of integration. Substituting eqs.(9)
and (10) into eq.(5) and sustituting eq.(5) in eq.(3) one gets
(x) = Ak
21
(x) exp(i
x
k(x)dx)
for E > V
(11)
where c1 and c2 are absorbed into A. In a similar fashion, the case EV gives
12
(x) = B
(x) exp(
x
(x )dx)
for EV
(12)
The region in which E > V (x) is called a classically allowed region of motion,
while a region in which EV (x) is called classically inaccessible. The points
in the boundary between these 2 kinds of regions are called turning points
[where E = V (x)].
Applicability condition: The WKB approximation is based on the condition
1 dk
2
|k (x)|
(13)
2 dx
(i.e. V(x)varies very slowly with x). k(x) is the wave number so k(x) = 2
,
where is the wavelength. We can then write eq.(13) as
1 dk
2
k(x)
2 dx
dk
k(x)
(14)
or
4 dx
Solution near a turning point: Adjacent to the turning points for which
dk
k(x0), we have k dx
|x0 (x x0). Thus the WKB approximation is applicable
for a distance from the turning point satisfying the condition
|x x0|
(15)
1(x) =
cos( k(x)dx B1)
a
k
(16)
2(x) =
cos( k(x)dx B2)
x
k
(17)
1
k(x)dx B = (n + ) n = 0, 1, 2 . . .
2
b
1
k(x)dx = (n + ) n = 0, 1, 2 . . .
a
2
if the initial phase is chosen to be zero, i.e. B = 0.
or
1
p(x)dx = 2h(n + ) n = 0, 1, 2 . . .
2
(18)
(19)
(20)
where p(x) = h
k(x) Eq.(20) is called the Bohr-Sommerfeld quantization rule.
Barrier potential: For a potential barrier V(x) between x = a and x =
11
0 = cos(B1)
0 = cos(B2)
1
1
Kn dx = (n + )
a
2
2
i.e.
(n + 1)
2a
2 2
2 2
(n + 1)2
h
kn
1h
En =
=
2 m
8ma2
2akn = (n + 1)
kn =
2 2 2
h n
Recall that the exact solution is 8ma
2
2.Use the WKB approximation to obtain the energy levels of a harmonic oscillator.
Consider the Bohr-Sommerfeld quantization rule:
b
1
(i)
p(x)dx = h
(n + ) (n = 0, 1, 2, . . .)
a
2
where p(x) = 2m[E V (x)] is the momentum of the oscillator, V (x) =
b
1
2 2
m
x
.
Since
pdx
=
2
a pdx holds for a linear harmonic oscillator we can
2
use eq.(i). The points a and b are the turning points that are determined by
the condition p(a) = p(b) = 0 or E V = 0; thus E 12 m 2 x2 = 0 so we
have
2
2E
2E
a = m2 , b = m2 . We introduce the new variable z = x m
2E , and
obtain
b
2E 1
E
(ii)
p(x)dx =
1 z 2 dz =
a
1
12
13
1.3
(2)
or H0 |n = En |n
(2)
(3)
(5)
(H0 0 )0 = 0
14
(7)
1 :
(H0 0 )1 = ( 1 h)0
(8)
2 :
(H0 0 )2 = ( 1 h)1 + 2 0
(9)
.................................
Note the following:
1. As 0, we have 0 = En (the unperturbed eigenvalue of the nth level)
and eq.(7) means that 0 is the corresponding unperturbed eigenfunction.
We, therefore put
0 = un, 0 = En
(10)
2. any arbitrary multiple of 0 can be added to any of the functions s
without aecting the RHS of eqs.(7) to (9) and the determination of s in
terms of lower order functions. Hence we choose the arbitrary multiple such
that
(0, s ) = 0 s > 0
(11)
3. Using the result
(r) (r)d3r
(12)
(0, hs1 )
= (un , s1)
(0 , 0)
(13)
(14)
which is the expectation value of h for the unperturbed state un or |n. Any
function can be written as a linear combination of the orthonormal basis
functions um so
(15)
1 = a(1)
m um
m
En )um = ( 1 h)un
15
where a(1)
n = 0 because of eq.(11) (free choice). Now replace H0 um by Em um ,
multiply by uk and sum over all m making use of the orthonormality of the
u s (only terms k = m survive) to have
(1)
ak =
(uk , hun )
k|h|n
or
En Ek
En Ek
k = n
(16)
m|h|n
m = n
En Em
m|h|n
|m
m = n
Hence 1 =
m En Em
The rst-order solutions are
i.e. a(1)
m =
(17)
(18)
En() = 0 + 1 = En + n|h|n
n () = 0 + 1 = un +
(19)
m|h|n
|m
En Em
m
m = n
(20)
Usually we set = 1
Second-order perturbation
When s = 2 eq.(13) gives
2 = (un, h1 ) = (un, h
(1)
am um )
m
(1)
am (un, hum)
m
(1)
am n|h|n
m
|n|h|m|2
m|h|n
n|h|m =
m = n
(21)
m En Em
m En Em
since h is assumed to be hermitian. Eq.(21) is the second-order approximation of the eigenvalue.
The second-order approximation of the eigenfunction 2 is calculated by expanding it in terms of um :
2 =
(2)
am um,
m
a(2)
n = 0
(22)
En )um =
(1)
am ( 1
m
h)um + 2 un
(1)
ak (Ek En ) = ak 1
(1)
am (uk , hum )
m
16
(1)
or ak 1
(1)
am k|h|m
m
k = n
ak =
k|h|nn|h|n k|h|mm|h|n
+
(En Ek )2
m (En Ek )(En Em )
m=n
n=k
(23)
k
k|h|nn|h|n k|h|mm|h|n
+
|m
(En Ek )2
m (En Ek )(En Em )
m=n
n=k
(24)
En() = 0 + 1 + 2 = En + n|h|n +
|n|h|m|2
En Em
m|h|n
|m
m En Em
k|h|mm|h|n
k|h|nn|h|n
|m
+
+2
2
(E
E
)
(E
E
)(E
E
)
m
n
k
n
k
n
m
k
m=n
(25)
n () = 0 + 1 + 22 = un +
m=n
n=k
(26)
Example 1: The eect of the nite size of the nucleus is to raise the energies
of the electronic states from the theoretical values based on a point nucleus.
Show from rst-order perturbation theory that, if the proton is regarded (for
simplicity) as a thin uniform spherical shell of charge of radius b, the frac4b2
tional change in the energy of the ground state is 3a
2 where the ground state
0
1
( a1 3 ) 2
0
(i)
e2
40 r
V =
r>b
e2
4
0b
(ii)
rb
e2 1
40 r
V1 = V V0 =
17
1b )
r>b
rb
(iii)
1 =
u0V1 u0d
(iv)
1
Thus
4 e2 b 2 1 1
r ( ) exp(2r/a0)dr
a30 4 0 0
r b
(v)
Since b/a0 105, the exponential term may be replaced by unity over the
range of integration, and the integral becomes
1
r2
(r )dr = b2
0
b
6
b
(vi)
(vii)
E1
4b2
= 2
E0
3a0
Example 2: Consider a 3 dimensional problem. In a given orthonormal
basis, the Hamiltonian is represented by the matrix
H=
1 0 0
0 3 0
0 0 2
0 c 0
c 0 0
0 0 c
1
c
0
1
c
2
2
= (c2)
c
3
0
= (c2)[ 4+3c ]
c
3
0
0
c 2
18
Therefore, = c 2, 2 1 + c2 .
2. The second order correction to the energy may be written as: En =
En(0) + En(1) + En(2) or
(E)i = (H )ii + (H )ii +
Hik
Hki
(0)
(0)
Ei Ek
k=i
It can be seen that (H o )ii = 1, 3 and -2. The rst order energy correction is
given by H11
= 0, H22
= 0 and H33
= c. For the second correction, we have
(2)
E1
(2)
E2
H12
H21
(0)
(0)
E1 E2
H12
H21
(0)
(0)
E2 E1
and
(2)
E3
H13
H31
(0)
(0)
(0)
E1 E3
H32
H23
(0)
(0)
E2 E3
(0)
E3 E1
H13
H31
0
c2
c2
+ =
=
2 3
2
0.0 c2
c2
+
=
=
31
3
2
H23
H32
(0)
(0)
E3 E2
= 0+0=0
c
c
Thus E1 = 1
2 , E2 = 3 + 2 ; E3 = 2 + c.
3. Expand 2 1 + c2 in a binomial series
c2
1
c2
1 + c2 = 2 (1 + c2 + ...) = 3 + , 1 (c2
1).
2
2
2
1
En = n + )h; n = 0, 1, 2, 3...
2
1
un = Nn Hn() exp( 2 )
2
19
k
12
=
, Nn = n
m
2 n!
m mk 1/4
= x, =
=
h
h
2
Notice that the exact solution can easily be obtained; all that one has to do
is replace k by k+b. Thus if we write
Hn = Enn
H = Ho + H
where
1
b 1/2
k
En = n + )h
1+
2
m
k
then
or
1
1 b 1 b2
En = n + )h
1+
+ ... ...
2
m
2 k 8 k2
the binomial expansion been valid when kb 1. If we compare (**) with equation (4), we obtain
o = n +
1 =
1
k
...............()
m
1
k b
1
...............()
n+ h
2
2
mk
1
k b2
1
n+ h
...............( )
8
2
m k2
where o represents the unperturbed eigenvalue, and 1 and 2 represent the
rst and second order perturbations respectively. We can now apply perturbation theory to compute 1 and 2 etc. Now,
2 =
1
1
1 = b
un(x)x2un (x)dx = bn|x2|n
2
2
1
k b
1
= n+ h
...............(i)
2
2
mk
Equation (i*) agrees with eqn. (**). In order to calculate 2 , we note that
1
Hmn
= m|H |n = bm|x2 |n
2
20
and this is non zero , only when m=n-2, m=n or m=n+2. Thus
2 =
m
|Hmn
|2
1 2 |n 2|x2|n|2 |n + 2|x2|n|2
= b
+
En Em
2
En En2
En En+2
1 2 h
1
= b 2 2 n+
8 m
2
which agrees with eqn (***).
21
1.4
(1)
H0 u k = E k u k
(2)
uk (t)
= H0uk (t) = Ek uk (t)
t
i.e.
uk (t)
i
= Ek uk (t)
t
h
uk (t) = uk (0)e
iEk t
h
(3)
..
= H(t)
t
(4)
n
an (t)une
iEk t
h
with coecients
iEnt
h
(5)
ak (t) = uk
(6)
ak (t) is the probability amplitude for state uk , |ak (t)|2 is the probability that
the system is in the state uk . Substituting eq.(5) into eq.(4) we have
n
ih an un e
iEn t
h
n
an En une
iEnt
h
22
n
an (H0 + h(t))une
iEn t
h
all
space
uk h(t)un d . We
kn =
Ek En
h
(8)
ak =
k|h(t)|nan (t)eikn t
ih n
(9)
First-order Perturbation
We express the an (t) in eq.(9) as a power series in :
(1)
2 (2)
an (t) = a(0)
n (t) + an (t) + an (t) + . . .
(10)
(11a)
1
ikn t
k|h(t)|na(s)
(11b)
n (t)e
ih n
Eq.(11) can be integrated successively to obtain approximate solutions to any
desired order in the perturbation. For rst-order perturbation s = 0 and
a(s+1)
(t) =
k
.
a(1)
k (t) =
.
1
ikn t
k|h(t)|na(0)
n (t)e
ih n
(12)
(0)
where a(0)
n (t) are the solution of eq.(11a), the zero-order coecients ak , which
(0)
are constant with time. The ak are the initial conditions of the system before
the perturbation is applied.
(0)
Assuming, for simplicity, that all except one of the ak are zero, so that the
system is initially in a denite unperturbed energy state |m.
We thus put
(0)
ak = k|m = km
23
(13)
(1)
ak (t) =
1
k|h(t)|meikm t
ih
1 t
k|h(t )|meikm t dt
ih or 0
(1)
ak (t) is the rst-order probability amplitude at any time t > 0 for state |k,
(1)
|ak (t)|2 is the rst-order probability of nding the system in the state |k
i.e. the transition probability from state |m to |k after time t > 0.
Examples
1. A system of hydrogen atoms in the ground state is contained between the
plates of a parallel-plate capacitor. A voltage pulse is applied to the capacitor
so as to produce a homogeneous electric eld
E=
0 t0
e 0 exp(t/ )
t>0
Show that, after a long time, the fraction of atoms in the 2p (m = 0) state
is, to rst order
215 a20 e2 20
310 h
2( 2 + 12 )
where a0 is the Bohr radius, and h
is the energy dierence between the 2p
and the ground state.
Solution: First-order time-dependent perturbation theory gives the result
that if a Hamiltonian h(t) is applied at t = 0 to a system in an initial state
|m with energy Em , the probability that a transition has occurred to a state
|k, with energy Ek at time t is |ak |2 , where
ak =
1 t
k|h(t )|m exp(it)dt ,
0
ih
h
= Ek Em
(i)
In this problem h(t ) is the potential of the electron in the applied eld, whose
direction we take as the z-axis, i.e.
h(t ) = e 0 z exp(t / ),
t > 0
(ii)
24
(iii)
exp{(i 1/ )t}dt =
1
1
[exp{(i 1/ )t}]0 =
(iv)
i 1/
i 1/
e 0
k|z|m
(v)
h
( + i/ )
The initial state is the ground state of the hydrogen atom, i.e., the quantum
numbers are n = 1, l = 0, m = 0 and the nal state has n = 2, l = 1 m =
0. We evaluate the matrix element in spherical polar coordinates r, , using
the relation z = r cos . Then
Therefore,
ak =
k|z|m =
all
space
dv = r2 dr sin dd
2 1
u100 = R10 Y00 =
exp(r/a0)
4 a3/2
0
where
1
r
1
u210 = R21Y10 =
exp(r/2a0) cos
4 (2a0)3/2 a0
1 1 4
3r
Thus k|z|m = 3/2 4
r exp(
)dr cos2 sin d
0
2 a0 0
2a0
(vi)
(vii)
(viii)
(ix)
(x)
6
4! 2
= 3/2
2
3
a0
(xi)
4!
5 ).
215 a20 e2 20
|ak | = 10 2 2 1
3 h
( + 2 )
2
h
kj = Ek Ej = hjk
(ii)
(iii)
(iv)
(v)
Therefore the integral in eq.(iii) is the complex conjugate of the one in eq.(ii).
Thus
ajk (t) = {akj (t)}
giving
h(t) =
q x
0
0t
otherwise
26
Chapter 2
SCATTERING THEORY
Introduction: Much of what we know about the forces and interactions in
atoms and nuclei has been learnt from scattering experiments, in which atoms
in a target are bombarded with beams of particles whose nature are known.
Theoretically, the most signicant aspect of scattering processes is that of
the continuous part of energy spectrum. Here intensities are the objects of
measurement and prediction. These intensities, being measures of the likelihood of nding a particle at certain places, are related to the eigenfunctions.
Establishing this relation is the rst problem of scattering theory.
In an idealized scattering experiment a single xed scattering center is bombarded by particles (projectiles) incident along the z-axis. In the classical
limit each particle can be assigned an impact parameter, and an azimuth
angle, , which together with z dene its position in cylindrical coordinates.
Let d/d be the area which, when placed at right angles to the incident
beam, would be traversed by as many particles as are scattered into the
unit solid angle around a direction characterized by the angles and (g.
27
2. Possible multiple scattering processes are negligible. (A multiple scattering process is a process in which a scattered particle can be scattered multiple
times in the same target range)
3. The incident beam width is much larger than a typical range of the scattering potential, so that the particle will have a well-dened momentum.
The total scattering cross-section sc =(total number of particles scattered
d
per second)/F = d
d. Absorption cross-section ab = (total number of
particles absorbed per second)/F .
..
h
2 2
(3)
where = reduced mass. This is the equation for the projectile; it is not an
eigenvalue equation. E is positive and is the energy given to the projectile
by the experimenter. Therefore, it is arbitrary. Divide (3) through by h
2 /2
to obtain
(
'
2V
2E
2
+ 2 2
h
2
2
(4)
or [ + k ] = U
2 2
f (, )
exp i(kr t)
(6)
r
The rst term represents the incident particles moving along the z-axis, and
the second term, which is a spherical wave travelling outwards from the origin,
represents the scattered particles. We are conning the dicussion to elastic
scattering hence the value of k is the same in the incident and scattered
terms in (6). The function f (, ) is known as the scattering amplitude. The
dierential cross-section is related to f (, ) by
(r) = exp i(kz t) +
d/d = |f (, )|2
(7)
(i)
The term ui = exp(ikz) in the wave function (6) represents the incident
particles with density
Gi = |ui|2 = 1
(ii)
While the term us = 1r f (, ) exp(ikr) represents the scattered particles with
density
Gs = |us |2 = |f (, )|2/r2
(iii)
The number of scattered particles passing through dA in unit time = (density
2
of particles at r)v dA = |f (,)|
= |f (, )|2vd
(iv)
2
r
where v is the velocity of the incident and scattered particles. The incident
ux is F = Gi v = v
(v).
Inserting (iv) and (v) into the denition of d/d, eq.(2) we have (7)
Born Approximation
This is a rst-order perturbation calculation, valid for fast particles and a
weak potential, which means that the incident wave function is only slightly
perturbed by the potential. The approximation gives
m
f (, ) =
V (r) exp(i.r)dv
(8)
2h2 all
space
30
(9)
|k| = |k |, and = 2k sin
2
Example 1: Show that for a spherically symmetric potential
4
V (r) exp(ik.r) =
V (r) sin krdr
k 0
0
V (r)r dr
0
exp(ikrcos) sin d
(i)
where is the angle between r and the polar axis. Put u = cos . Then
du = sin
and
0
1
exp(ikru)du =
2
sin kr
kr
(ii)
where
I=
all
space
mI
2h2
V (r) exp(i.r)dv
31
(i)
(ii)
I=
all
space
V (r) exp(i.r)dv =
4
V (r)r sin rdr
k 0
(example1)
with
sin r =
1
{exp(ir) exp(ir)}
2i
(iii)
(iv)
and noting that the integrated expression vanishes at r = due to the factor
exp(r). The result is
4
I= 2
(v)
+ 2
Thus from (i) and (v)
2m
d/d = |f (0)| = 2 2
h
( + 2)
2
(vi)
(vii)
=0
(viii)
mZe2
d/d =
0h
2 (2
(ix)
h
2k2
p2
=
2m
2m
32
(x)
h
= 8mE sin
(xi)
+ V (r) =
2
2
(10)
(where 2 is the Laplacian in spherical polar coordinates and V (r) is a spherically symmetric potential elastic scattering) which have the asymptotic
form
eikr
(+)
(11)
k = eikrcos + fk ()
r
We establish the connection between these solutions and
(r, , ) = Rl,k (r)Ylm (, ) =
ul,k (r) m
Yl (, )
r
(12)
l(l + 1) 2
1 d 2d
(r
)
+
+ 2 V (r) k 2 Rl,k (r) = 0
2
2
r dr dr
r
h
(13)
d2
l(l + 1) 2
+
+ 2 V (r) k 2 ul,k (r) = 0
(14)
2
2
dr
r
h
respectively as well as the boundary condition that Rl,k be nite at the origin
ul,k = 0
(15)
For the region r > d, V (r) = 0
l(l + 1)
1 d 2d
(r
)
+
k 2 Rl,k (r) = 0
2
2
r dr dr
r
(16)
sin(kr l/2)
cos(kr l/2)
ul,k (r)
Al
Bl
r
kr
kr
33
(17)
The rst term of (17) is called the regular solution while the second term is
the irregular solution. The magnitude of Bl /Al is a measure of the intensity
scattering.
Bl /Al = tan l
(18)
where l is called scattering phase shift. Hence (17) can be written as
sin(kr l/2 + l )
ul,k (r)
Cl
r
kr
or
ul,k (r)
sin(kr l/2 + l )
r
kr
(19)
(+)
k (r, ) =
al (k)pl (cos )
l=0
ul,k (r)
r
(20)
(+)
where k depends only on the angle between k and r but not on their
directions. The asymptotic expansion of the plane wave eikz gives
eikz = eikrcos
(2l + 1)il
l=0
sin(kr l/2)
pl (cos )
kr
(21)
Substituting (21) into (11), and (19) into (20) and comparing coecients of
we have
the terms of the form pl (cos ) exp(ikr+il/2)
kr
(2l + 1)il il
e
al =
(2)3/2
(22)
k (r, )
l=0
sin(kr l/2 + l )
pl (cos)
(2)3/2kr
(23)
Eq.(23) diers from a plane wave by the presence of and is called distorted
ikr
plane waves. Put (21) into (11) and compare the coecients of e r in (11)
and (23) to have
fk () =
(2l + 1)
l=0
34
e2il 1
pl (cos )
2ik
(24)
1
(2l + 1)eil(k) sin l (k)pl (cos )
(25)
k l=0
Each l term in (24) or (25) is known as a partial wave. The l = 0 wave is
termed an s-wave, the l = 1 a p-wave, the l = 2 a d-wave and so on (same
nomenclature as for atomic states). The lth wave, being an eigenfunction of
the operator L2 , is a state in which
the particle has orbital angular momentum
about the origin of magnitude {l(l + 1)}h lh. Since the linear momentum
of the particle is h
k, a classical picture of the lth wave is that it corresponds
to the particle passing the potential at a distance l from its centre, where
h
kl = lh, i.e.
(26)
l = l/k
or
fk () =
d2 u 2 l(l + 1)
+ k
u = 0,
dr2
r2
(i)
i
exp(ikr).
u(r) = 1 +
kr
(ii)
Dierentiating this twice with respect to r and substituting in (i) shows that
the equation is satised with l = 1.
b) Outside the range of the potential, the wave function for s and p waves
has the form
B
i
A
1+
exp(ikr) cos ,
(iii)
= exp(ikz) + exp(ikr) +
r
r
kr
where A and B are constants. The term in A is the spherically symmetric
s-wave, and the term in B is the p-wave. As r
= exp(ikz) +
f ()
exp(ikr)
r
(iv)
(v)
Since the scattering object is an impenetrable sphere, the wave function vanishes on the surface r = d. Thus
A
B
i
exp(ikd cos ) + exp(ikd) +
1+
exp(ikd) cos = 0.
(vi)
d
d
kd
The terms on the RHS that are independent of must sum to zero, and
similarly the terms proportional to cos . Expanding exp(ikd cos ) in powers
of kd we have
1
exp(ikd cos ) = 1 + ikd cos (kd)2 cos2 + 0(k 3d3).
(vii)
2
36
We cannot make the terms in cos2 sum to zero in (vi), because that would
require the contribution from d-waves, which are excluded. However, we need
to take into account the average value of cos2 , which is 1/3. Summing the
terms in (6) which are independent of gives
A
1
1 (kd)2 + exp(ikd) = 0
6
d
1
whence A = d{1 (kd)2} exp(ikd).
6
Summing the terms in cos gives
(viii)
(ix)
B
i
ikd +
1+
exp(ikd) = 0.
d
kd
(x)
(xi)
(xii)
to terms in (kd)2
Example 2 A particle of mass and momentum P = h
k is scattered by
r/a
the potential V (r) = e r Vo a, where Vo and a>0 are real constants (Yukawa
potential).
(a) Using the Born approximation, calculate the dierential cross section (b)
obtain the total cross section.
Solution
(a) The range of the Yukawa potential is characterized by the distance a. We
2 /, so that the Born approximation is valid for all
assume that Vo a2
h
values of ka. The scattering amplitude is then given by:
1 2Vo a iq.r er/ro 3
f (, ) =
dr
e
4 h
r
2
Since the potential has spherical symmetry V(r) = V(r), we can carry out
the integration using the relation
r2eiq.r V (r)drd =
4
sin(qr)V (r)rdr
q 0
37
r/a
dr
0 r sin(kr)e
2Vh2oa
d
d
= 2Vh2o a
1
1+q 2 a2
1
1+[2ka sin 2 ]2
= |f ()|2 is:
d() 42 Vo2 a6
1
=
4
d
h
[1 + 4k 2a2 sin2 2 ]2
Note that due to spherical symmetry, the cross section does not depend on
the azimuthal angle.
(b) The total cross section is obtained by integration
d()
4
42 Vo2 a6
d =
4
d
1 + 4k 2a2
h
where E = h2k is the energy of the particle in the center of mass frame and
is their reduced mass.
Example 3: A point particle is scattered by a second particle with rigid
core; that is, the scattering potential is V(r) = 0 for r> a and V(r) =
for r < a. The energy of the scattered particle satises ka = 1. (a) Find the
expression for l . Complete the table below (express l in radians).
tan l l sin l
l=0
l=1
l=2
(b) Calculate the dierential cross section d/d for angles 0 and , taking
into account only the waves l =0 and l =1. (c) Compute the total cross
38
section T taking into account only the waves l =0 and l =1. (d) What is the
accuracy of part (c)?
Solution
(a) The phase shifts for a rigid sphere is given by the equation:
tan l =
jl (ka)
nl (ka)
and substituting x=ka =1, we nd tan o = -1.56, tan 1 = -0.22 and tan 2 =
-0.02. Therefore
tan l
l = 0 -1.56
l = 1 -0.22
l = 2 -0.02
l
-1.00
-0.22
-0.02
sin l
-0.84
-0.22
-0.02
1
d
= 2 | (2l + 1)eil sin l Pl (cos )|2
d k l=0
4
(2l + 1) sin2 l
2
k l=0
l=0Rl (r)Pl (cos )), where R(r) is the solution of the radial wave equation
and Pl (cos ) is the Legendre polynomial of order l. In the limit r the
asymptotic form of the wave function is:
1
(r, )r eikz + f ()eikr
r
(1)
where f() is the scattering amplitude. Similarly, the asymptotic form of R(r)
is
Al sin kr 2 l + l
(2)
R(r)r
kr
where l are phase shifts. (i) use expressions (1) and (2) to obtain the Legendre expansion of f()
(b) Show that the total cross section is given by
T =
4
(2l + 1) sin2 l
2
k l=0
Solution (a) The asymptotic form of the wave function is as given above:
(r, )r
Al
sin kr 2 l + l
l=0
kr
1
Pl (cos ) = eikr + f ()eikr
r
l=0
40
we nd that
Al
sin kr
2l
+ l
kr
l=0
=
where f ()
1
Pl (cos ) = eikr + f ()eikr
r
(2l + 1)i
sin kr
2l
kr
l=0
=
l=0 fl Pl (cos ). Now,
i(
I Al e
II
1
ikr
+ fl ()e Pl (cos )
r
+ l
we write sin x =
kr 2 l+l
eix eix
,
2i
and obtain
kr 2l
(2l + 1)il e
= 2ikfl eikr
l
l
Al eikr 2 +l 2l + il eikr 2 = 0
Therefore from (II), we obtain Al = (2l + 1)il eil and then by subst back in
(II), we have
f () = (2ik)
1
l=0
T =
|f ()|2d = 2
1
d(cos )
|
(2l + 1)(e2i1 1)Pl (cos )|2
2
1
4k
l=0
1
= 2
d(cos )
(2l + 1)(2l + 1)(e2il 1)(e2il 1)Pl (cos )Pl (cos )
2k 1
l,l =0
Now,
1
1
2
ll .
(2l + 1)
Therefore
T =
4
2il
2il
(2l
+
1)(2
e
)
=
(2l + 1) sin2 l
2
2
k l=0
k l=0
41