125
125
Stockholm University
Chapter 6
6.1
Q. Suppose we put a delta-function bump in the center of the infinite square
well:
H 0 = (x a/2)
(1)
where is a constant.
a)
Find the first-order correction to the allowed energies. Explain why the energies
are not perturbed for even n.
Sol:
For the infinite square well we have that the energies are given by:
n 2 2 ~2
n = 1, 2, 3 . . .
(2)
2ma2
since each energy level is unique the spectrum is non-degenerate. So when we
seek the first order corrections to the energy levels we can use non-degenerate
perturbation theory:
En1 = hn0 |H 0 |n0 i
(3)
0
n0 (x) (x a/2) n0 (x) dx
n
n
x (x a/2) sin
x dx
a
a
0
(
2
0 if n = even
2 n a
= sin
=
2
else
a
a 2
a
2
=
a
sin
For even n we see that the correction is 0. We can understand this, besides
trusting the calculations, from the fact that the even wave functions are 0 where
the delta-functions is located - they thus never get affected by it.
1
b)
Find the first three nonzero terms in the expansion (eq.(6.13) in the text book)
of the correction to the ground state 11 .
Sol:
Eq.(6.13) in the book is:
n1 =
X h 0 |H 0 | 0 i
m
n
0
m
0
En0 Em
(5)
n6=m
n = 1 gives:
11 =
X h 0 |H 0 | 0 i
m
1
0
m
0
E10 Em
m6=1
11 (x)
X
m6=1
11 (x)
0
m
(x)
0
0
E1 Em
0
m
(x) (x a/2) 10 (x) dx
Z
3/2 X
m
sin m
2
a x
x
sin
x dx
(x
a/2)
sin
=
0
a
E10 Em
a
a
m6=1
11 (x)
3/2 X
m
sin m
2
a x
=
sin
sin
.
0
a
E10 Em
2 | {z2 }
m6=1
which gives:
11 (x)
#
3/2 "
sin 3
sin 5
sin 7
2
a x
a x
a x
0
=
+ 0
0
+ ... .
a
E1 E30
E1 E50
E1 E70
r
=
a m
3
1
5
1
7
sin
x sin
x + sin
x + ...
2 2 ~2
a
3
a
6
a
(6)
6.2
Q. For the harmonic oscillator [V (x) = (1/2)kx2 ], the allowed energies are:
En = (n + 1/2)~
(n = 0, 1, 2, . . .)
(7)
where = k/m is the classical frequency. Now suppose the spring constant
increases slightly: k (1 + )k.
a)
Q. Find the exact new energies. Expand your formula as a power series in ,
up to second order.
Sol:
Obtaining the new energies is trivial:
r
(1 + )k
= (n + 1/2)~ 1 + . (8)
En En = (n + 1/2)~
= (n + 1/2)~
m
Expanding this to second order in :
1
1
1 + 1 + 2 + . . .
2
8
gives:
1
1 2
En (n + 1/2)~ 1 + + . . . .
2
8
(9)
b)
Q. Now calculate the first-order perturbation in energy using eq.(6.9) in the text
book. What is H 0 here? Compare your result with part (a). Hint: do not calculate any integral but use information from p.48-49 when suitable.
Sol:
First-order energy perturbation is given by:
En1 = hn0 |H 0 |n0 i
and to calculate it we must of course know the perturbation H 0 . For the Harmonic oscillator (in one dimension) we have the Hamiltonian:
H=
1
~2 d 2
+ kx2
2m dx2
2
(10)
~2 d 2
1
1
+ kx2 + kx2
2m dx2
2
2
(11)
and thus:
1
kx2 .
2
This gives us the first-order energy perturbation as:
H0 =
(12)
1
k hn0 |x2 |n0 i.
2
a n = nn1 .
a+ n = n + 1n+1 ,
x2 =
(13)
(14)
En1 =
~
1
k
hn0 | a2+ + a+ a + a a+ a2 |n0 i.
2
2m
(15)
~ 0 2 0
1
k
hn |a+ |n i + hn0 |a+ a |n0 i + hn0 |a a+ |n0 i + hn0 |a2 |n0 i
2
2m
0
0
0
0
= n + 1hn0 |a+ |n+1
i + nhn0 |a+ |n1
i + n + 1hn0 |a |n+1
i + nhn0 |a |n1
i
=
0
0
n + 1 n + 2 hn0 |n+2
i + n n hn0 |n0 i + n + 1 n + 1 hn0 |n0 i + n n 1 hn0 |n2
i
| {z }
| {z }
| {z }
| {z }
0
(16)
= 0 + n + (n + 1) + 0 = 2n + 1
so:
En1
1
~
1
~
= k
(2n + 1) = m 2
2
2m
2
m
1
1
n+
=
n+
~
2
2
2
(17)
1 There is a famous quote that says that physics is just learning to solve the harmonic
oscillator problem at ever increasing level.
6.4
a)
Q. Find the second-order correction to the energies (En2 ) for the potential in
problem 6.1. Comment: You can sum the series explicitly, obtaining 2m(/~n)2
for odd n.
Sol:
The second-order energy correction (eq.(6.15) in the text book) is:
En2 =
X |h 0 |H 0 | 0 i|2
m
n
0
En0 Em
(18)
n6=m
m
n
2
sin
sin
a
2
2
so:
0
|hm
|H 0 |n0 i|2
0
Since En0 Em
=
En2 =
m
n
42
= 2 sin2
sin2
=
a
2
2
2 ~2
2
2ma2 (n
(
0 for even n or m
42
else.
a2
m2 ) we obtain:
2
1
8m2 1
8m2 X
=
=
2m
2 ~2
n2 m2
2 ~2 4n2
~n
(19)
n6=m
n=odd
note also that the m outside the sum is the mass, not the summation index in
the sum. The explicit expression for the sum can be looked up in a table or
derived if you think that is fun - it is not important for the understanding of
quantum mechanics (in my humble opinion).
b)
Q. Calculate the second-order correction to the ground state energy (E02 ) for
the potential in problem 6.2. Check that your result is consistent with the exact
result obtained in problem 6.2 a) (eq.(9) in these solutions!).
2 If you have a hard time seeing this I suggest that you redo the steps from problem 1 where
0 |H 0 | 0 i.
we computed hn
n
Sol:
Once again we need to use eq.(18) and we note that we already computed a lot
of it in eq.(16) from the previous problem:
0
hm
|H 0 |n0 i
"
1
~
0
0
0
= k
n + 1 n + 2 hm
|n+2
i + n n hm
| 0 i +
| {z n}
2
2m
| {z }
m,n
m,n2
0
0
0
+ n + 1 n + 1 hm
|n0 i + n n 1 hm
|n2
i .
| {z }
| {z }
m,n
m,n+2
Now, before we start computing this using the brute force method to obtain 16
terms we pause a moment and think. The 16 products will all consist of two
delta functions and if you look at the product of two such that are not equal,
say m,n m,n+2 this has to be 0. For fun, try to prove this - it is a one line
argument that I provide in the following (dont peek!) footnote3 .
So:
0
|hm
|H 0 |n0 i|2 =
"
#
2 k 2 ~2
2
2
2
2
2
=
(n+1)(n+2) (m,n+2 ) +n (m,n ) +(n+1) (m,n ) +n(n1) (m,n2 ) .
16m
2 2
Inserting this into eq.(16), noting that we are interested in n = 0 and that the
sum does not allow m = n we obtain:
"
#
2 2 2 X
k
~
1
2
2
(0 + 1)(0 + 2) (m,0+2 ) + 0(0 1) (m,0+2 )
E02 =
0
16m
2 2
E00 Em
m6=0
E02 =
2 k 2 ~2 X
1
2
2 (m,2 )
0
16m
2 2
E00 Em
(20)
m6=0
2 k 2 ~2 2m,2
2 k 2 ~2
1
=
0
0
2
2
16m
E0 E2
8m
2 2 E00 E20
while the other one can be thrown away since it does nothing - there are no
more m to force to the value 2.
Now we use:
E00 E20 = ~ (0 2)
and
k2 = m
2 4
(21)
to obtain:
E02 =
3 This
2 m
2 4 ~2
1
2
~
8m
2 2
(2~)
16
(22)
note that both this result and eq.(17) are in agreement with the exact result obtained in eq.(9)!
6.7
Q. Consider a particle of mass m that is free to move in a one-deminsional
region of length L that closes on itself. An example of this would be problem
2.46 in the text book, where a bead that slides frictionlessly on a circular wire.
a)
Q. Show that the stationary states can be written in the form:
1
n (x) = e2in/L ,
L
(23)
2
m
n~
L
2
.
(24)
Notice that the spectrum is doubly degenerate for all n but n=0.
Sol:
To find the eigenstates and eigenvalues we solve the eigenvalue equation:
H|i
= E|i
(25)
Notice now that our system is a particle that moves freely. The Hamiltonian
must thus only contain a kinetic energy term:
2
2
=~ d
(26)
H
2m dx2
and since our operator explicitly depends on the x-basis we naturally work in
this representation. The eigenvalue equation to solve is thus:
H(x)
= E(x)
~2 d2
(x) = E(x)
2m dx2
which has the most general solution:
(27)
eikL = e0
kL = 2n nZ.
r
=
2n
2mE
=
~2
L
= En =
2
m
~n
L
2
n Z.
(28)
Recall now that the we are asked to give the stationary states, that is, we are
asked to give the eigenfunctions of the operator. The solution found in eq.(27)
is actually a linear combination of the functions:
n (x) = C ei
2nx
L
n Z.
(29)
L/2
L/2
1
dx = C =
L
L/2
L/2
(30)
and as always, note that even though mathematically the solution is C = 1L ei
(where the last exponential is called a phase) we are free to set this phase to 1.
1 = hn |n i = |C|
i 2nx
i 2nx
L
L
dx = |C|
Thus:
2nx
1
n (x) = ei L n Z
L
(31)
with:
En =
2
m
~n
L
2
n Z.
(32)
b)
Q. Now suppose we introduce the perturbation:
H 0 = V0 ex
/a2
(33)
where a << L. Find the first-order correction to En using eq.(6.27) in the text
book. Hint: to evaluate the integral, exploit the fact that a << L to
extend the limits from L/2 to .
Sol:
The first-order correction for degenerate perturbation theory is given by Eq.(6.27)
in the text book:
q
1
1
E
=
Wa,a + Wb,b (Wa,a Wb,b )2 + 4|Wa,b |2
(34)
2
where:
Wa,b ha0 |H 0 |b0 i
(35)
and the indices a, b denote that indices for the degenerate energy levels. In this
example the energy levels are degenerate for n, so a = n, b = n.
Now we calculate Wn,n :
Wn,n =
V0
=
L
hn0 |H 0 |n0 i
V0
L
L/2
ex
/a2
L/2
ei
2nx
L
ex
/a2 i 2nx
L
dx
L/2
dx
L/2
V0
L
ex
/a2
dx =
V0
a
L
(36)
V0
L
L/2
ei
2nx
L
ex
/a2 i 2nx
L
dx =
L/2
V0
L
L/2
x2
e a2 i
4nx
L
dx
L/2
2
V0 ( 2na
L )
e
L
L/2
V0
=
L
e( a +i
x
e( a +i
x
2na
L
( 2na
L )
dx
L/2
2na
L
L/2
L/2
) dx V0 e( 2na
L )
L
2
e( a +i
x
2na
L
) dx
Computing this integral is not easy but manageable. Start with a variable
substitution:
x
2na
+i
= y,
a
L
which gives:
Wn,-n
5 In
+ i
dx = ady,
2na 2
V0
e ( L ) a
L
Swedish: kvadratkomplettering.
+i
2na
2na
<y <+i
L
L
2na
L
2n
+i aL
ey dy.
(37)
This is a very famous integral which is tabulated in most places (Physics Handbook for instance.). However, the limits are now complex which might be a first
sight for most of you following this solution. On this level it suffices to say that
you can prove, using something called the Cauchy residue theorem 6 , that this
integral is the same as if you had computed it on the real line. Thus, you can
just ignore the imaginary parts in the integration limits:
Z
2
2
2
V0 ( 2na
V0 ( 2na
L )
L )
ey dy =
ae
ae
(38)
|Wn,-n |
L
L
2
V0
a 1 e(2na/L)
L
(39)
c)
Q. What are the good linear combinations of n and n for this problem?
Show that with these states you get the first-order correction using eq.(6.9) in
the text book:
Sol:
What commonly happens during a perturbation of the Hamiltonian is that the
energies that are degenerate split in as many components (see figure 6.4 in
the text book) as the degeneracy. So during the perturbation we get a nondegenerate spectrum for the new eigenstates7 . The problem now is that we
dont know what these eigenstates look like more than that they must be a
linear combination of the unperturbed degenerate eigenstates. We call such a
combination a good linear combination.
In the case of a two-fold degeneracy, as this problem, the good states must
be of the form:
= a0 + b0
(40)
and we seek the coefficients , . Eq.(6.22) in the text book gives:
Waa + Wab = E 1 = =
E 1 Waa
Wab
(41)
where Waa , Wab , E 1 were calculated in the previous problem (a=n, b=-n). Note
1
1
that we get one combination for E+
and one for E
which is precisely what we
expect - one for each degeneracy-lift (compare with fig. 6.4 in the book).
First note from the previous problem that since Wn,n = W-n,-n we have:
1
E
= Wnn |Wn,-n |
(42)
6 In the beautiful theory of complex analysis you learn how to overcome the many limits
in real-valued mathematical analysis and you also explain a lot of the weird trigonometric
substitutions people do when solving indefinite integrals computed on the real line.
7 Remember, we have a new Hamiltonian now.
10
so we now get:
=
1
E
Wn,n
|Wn,-n |
=
=
Wn,-n
Wn,-n
(43)
e
+ e2in/L =
cos (2nx/L) .
=
L
L
+ = + n + -n =
= n + -n
From the fact that we have added two orthonormal functions to create we
immediately see that the normalisation constant is + = = 12 .
1
Since E
are non-degenerate and we have found the corresponding eigenstates
1
using non-degenerate perturbation theory
we should be able to get the values E
with and indeed this is the case:
1
E+
= h+ |H 0 |+ i =
2V0
L
L/2
ex
/a2
2
2
2V0
h+ |ex /a |+ i =
L
sin2 (2nx/L) dx
L/2
2V0
L
ex
/a2
(44)
Note now that using the Euler formula we obtain:
Z
x2 /a2
ex
sin (2nx/L) dx =
1
=
4
x2 /a2 i4nx/L
1
dx
4
/a2
1 i4nx/L
i4nx/L
e
+
e
2
dx
4i2
x2 /a2 i4nx/L
1
dx +
2
|
ex
{z
a /2
/a2
dx .
}
Note that the first two terms are very reminiscent of Wn,-n , which we computed
between eq.(37) and eq.(39). As an exercise you can prove the following:
x
int
e
/a2 i4nx/L
x
dx = int
e
/a2 i4nx/L
dx
V0
1
0
x2 /a2 i4nx/L
E+ = h+ |H |+ i =
e
e
dx + a
L
where the first term now is exactly Wn,-n . Referring back to eq.(37) through
eq.(39) where we computed this we obtain:
1
E+
=
i
2na 2
V0 h
ae( L ) + a
L
11
1
E+
=
i
2na 2
V0 h
a 1 e ( L )
L
(45)
which is in agreement with eq.(40), the result obtained using degenerate perturbation theory. Now, you can produce the steps for h |H 0 | i yourself,
either by expressing cos2 (2nx/L) as 1 sin2 (2nx/L) or by using the
1
Euler formula for cosine. You should then also verify that you actually get E
as stated in eq.(40).
12
6.9
Q. Consider a quantum system with just three linearly independent states. Suppose the Hamiltonian in matrix form is:
1 0 0
1
H = V0 0
(46)
0
2
where V0 is a constant and << 1.
a)
Q. Write down the eigenvectors and eigenvalues of the unperturbed Hamiltonian
( = 0).
Sol:
This is very straightforward. If is0 then:
1 0
H0 = V0 0 1
0 0
0
0
2
(47)
0
|3 i = 0
1
(48)
2 = V0
3 = 2V0
(49)
b)
Q. Solve for the exact eigenvalues of H. Expand each of them as a power series
in up to second order.
Sol:
This is something that we have done a lot. Start by setting up the eigenvalue
matrix equation:
H|i = |i
1 0
1
V0 0
0
V0 (1 )
0
0
0
a
a
b = b
2
c
c
0
0
V0
V0 = 0
V0
2V0
13
2 =
1 = V0 (1 )
p
V0
3 1 + 42
2
3 =
p
V0
3 + 1 + 42
2
(50)
2 V0 2 V0
(51)
3 2V0 + 2 V0
(52)
N.B: we chose 2 = V20 3 1 + 42 out of convenience. We could have chosen the other square root instead if we wanted to.
c)
Q. Use first- and second-order nondegenerate perturbation theory to find the
approximate eigenvalue for the state that grows out of the nondegenerate eigenvector of H 0 . Compare this to the exact value obatined in (a).
Sol:
For nondegenerate perturbation theory we get the first order correction from:
En1 = hn0 |H 0 |n0 i
(53)
1 0 0
H0 = V0 0 0 1
0 1 0
and the state that is nondegenerate is the one with
2V0 we find:
1
E31 = h30 |H 0 |30 i = 0 0 1 V0 0
0
14
(54)
the unperturbed eigenvalue
0 0
0
0 1 0 = 0
1 0
1
(55)
(which means that there are no first-order energy corrections due to the perturbation).
The second-order correction is given by:
X |h0 |H 0 |0 |2
|h10 |H 0 |30 |2
|h20 |H 0 |30 |2
m
3
=
+
0
0
0
0
E3 Em
E3 E1
E30 E20
m
1 0 0
0
h10 |H 0 |30 i = 1 0 0 V0 0 0 1 0 = 0
0 1 0
1
1 0 0
0
h20 |H 0 |30 i = 0 1 0 V0 0 0 1 0 = V0
0 1 0
1
E32 =
(56)
(57)
(58)
so:
E32 =
2 V02
|h20 |H 0 |30 |2
=
= 2 V0
0
0
E3 E2
2V0 V0
(59)
i
p
1h
Waa + Wbb (Waa Wbb )2 + 4|Wab |2
2
(60)
with Wab = ha0 |H 0 |b0 i. Our degenerate states are a=1 and b=2 so we obtain:
1 0
W11 = 1 0 0 V0 0 0
0 1
1
W12 = 1 0 0 V0 0
0
1
W22 = 0 1 0 V0 0
0
0
1
1 0 = V0
0
0
0 0
0
0 1 1 = 0
1 0
0
0 0
0
0 1 1 = 0
1 0
0
i
p
1h
V0 (V0 0)2 + 0 =
=
2
15
1
0 for E+
1
V0 for E
(61)
Is this consistent with the results in (b)? Yes, because there we found:
E11 = V0 V0
(62)
E21 = V0 2 V0
(63)
and in this problem we found that one state gets forced down by V0 while
the other state is unaffected in first order of .
16
6.32
for a particular quantum system is a function of
Q. Suppose the Hamiltonian H
some parameter ; let En () and n () be the eigenvalues and eigenfunctions
of H(). The Feynman-Hellmann theorem states that
En
H
(64)
= n
n
(65)
i
En
h
=
hn |H()|n i .
(66)
There are at least two ways to proceed from here. I will start by solving it
following the hint and then solve it in the way that Feynman did it.
In the first way to solve this we note that
En (0 + d) En (0 )
E 1 (0 + d)
En (0 ) = lim
= lim n
d0
d0
d
d
(67)
(68)
n0
H(0 )
d = H0 + H 0 (0 + d)
(69)
so eq.(68) becomes:
En1 (0 + d) =
H( ) H( )
0
0 0
n0
dn0 = n0
n d.
17
(70)
H( )
0 0
n0
n
(71)
So we have now shown the relation for small values close to 0 . To generalize
this we first make a small recap. We started at = 0 and increased the value
0)
with d to obtain 1 = 0 + d. To calculate E(
we used first order nonde
generate perturbation theory using the eigenfunctions of H(0 ) in eq.(68) and
arrived at eq.(71).
1)
Now consider a further increase in to obtain 2 = 1 +d. To calculate E(
we just repeat the same steps as before but now the unperturbed eigenfunctions
are n (1 ). Thus:
H( )
En (1 )
En1 (1 + d)
1
(72)
= lim
= n (1 )
n (1 )
d0
and the same pattern would continue with further increase of . By this we
have shown that for any we have:
En ()
=
H()
n ()
n ()
(73)
In the second way we do not use perturbation theory but rather a direct
method. From eq.(66) we obtain:
i
En
h
=
hn |H|n i
n
H
n
=
H n + n
n + n H
n
n
H
=
+
+
En n
n
H n
n
H
n
n
= En
n + n
n +
En n
n
n
H
= En
n + n
n + En
n
n
H
n
= En
n + n
n + En n
En
H
= n
[hn |n i]
n + En
| {z
}
0
(74)
b)
Q. Apply the theorem to the one-dimensional harmonic oscillator, (i) using
= (which yields a formula for hV i), (ii) using = ~ (which yields a formula for hT i) and (iii) using = m (which yields a relation between hV i and
hT i). Compare your answers to problem 2.12 and the Virial theorem predictions.
Sol:
Here we are going to use the formula we proved in the previous problem:
En
H
= n
n
for the harmonic oscillator. The Hamiltonian and the energies are given by:
H=
~2 d 2
1
+ m 2 x2
2m dx2
2
1
En = ~(n + )
2
(75)
(i)
Using this for = we get:
H
n
n
En
2V
= n |mx2 |n = n
n
1
En
En
= ~(n + ) =
and thus:
En = 2 hV i
(76)
H
n
n
~
2
En
~ d2
2
= n
=
T
n = hT i.
n
n
~
m dx2
~
~
En
=
~
(77)
From the expression for the energies you get (check this):
En
En
=
~
~
so eq.(77) gives:
En = 2hT i.
(78)
Now you can do the third exercise (iii) to verify what you can get from (i) and
(ii): hV i = hT i.
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