Homework #3 — PHYS 623 — Spring 2019 Professor Victor Yakovenko

Due on Monday, February 25, 2019 online Office: 2115 Toll Physics Building

Web page: http://physics.umd.edu/~yakovenk/teaching/

Textbook: Sakurai and Napolitano, Modern Quantum Mechanics,
2nd edition, Addison Wesley Pearson, 2011, ISBN 9780805382914
Total score is 65 points.

Ch. 5.4 Variational Methods

In the variational method, the energy and the wave function of the ground state are obtained
by minimizing E(λ) = hĤiλ with respect to a parameter λ, see Eqs. (5.4.1) and (5.4.14):
 2

h̄
dx − 2m ψλ∗ (x)ψλ00 (x) + V (x)|ψλ (x)|2
R
hψλ |Ĥ|ψλ i
E(λ) = = , (1)
hψλ |ψλ i dx |ψλ (x)|2
R

where the primes denote derivatives in x. Integrating the first term in the denominator by
parts with the boundary condition ψ(±∞) = 0, E(λ) can be equivalently written as
 
h̄2
|ψλ0 (x)|2 + V (x)|ψλ (x)|2
R
dx 2m
E(λ) = . (2)
dx |ψλ (x)|2
R

I strongly recommend you to use Eq. (2) instead of Eq. (1). The former has derivatives of
the lower order, and the kinetic energy term is manifestly positive.

1. Adapted from qualifier II-1, August 1990 and 1980, 10 points. Bounded linear
potential: “bouncing ball”, “quarkonium” (the quark-antiquark bound state), etc.
A particle of mass m in one dimension is subject to a linear potential with a boundary:
(
F x for x > 0,
V (x) = (3)
+∞ for x < 0,

where F is a constant force. Sketch the potential V (x).

(a) Estimate the energy E1 of the ground state using the variational method.
Directions: A trial wave functions must satisfy the boundary conditions ψ(0) = 0
and ψ(+∞) = 0. I recommend the following function with a variational length a

ψa (x) = ca x e−x/a . (4)

First, obtain ca from the normalization condition 0+∞ dx |ψa (x)|2 = 1. Then, sub-
R

stitute the normalized ψa (x) into Eq. (2) and minimize with respect to a. Change
R +∞ −βy n
the variable of integration to the dimensionless u = x/a and use 0 e y dy =
n!/β n+1 . Make sure that your final answer is dimensionally correct.
2 Homework #3, PHYS 623, Spring 2019, Prof. Yakovenko

(b) Compare your approximate energy E1 with the exact result obtained from the
Airy function and the WKB approximation for n = 1, see Table 2.2 on page 115.

2. 20 points. A shallow potential well in 1D vs. 2D and 3D.

(a) Consider a particle of mass m in one dimension subject to the attractive potential

V (x) = −λ δ(x), λ > 0, (5)

R
where δ(x) is the Dirac delta-function normalized to dx δ(x) = 1.
Using the procedure described in Problem 1(a), estimate the energy E0 of a bound
state using two trial wave functions: exponential and Gaussian,
2 /2a2
ψaexp (x) = ca e−|x|/a , ψaGauss (x) = ca e−x . (6)

Which one gives the lower energy? Which one is the exact wave function?
R +∞ −y2 √ R +∞ 2 −y2 √
Useful integrals: −∞ e dy = π, −∞ y e dy = 21 π.
(b) Now consider a generic (non-rectangular and non-delta-function) negative po-
tential V (x) of a characteristic depth −V0 and a characteristic width w (e.g.
localized within the length |x| < w, so that V = 0 for |x| > w). Assume that the
potential is shallow, i.e.
h̄2
V0  . (7)
mw2
From variational method, would you expect the optimal width a of a bound state
to be a  w, a  w, or a ∼ w? Explain qualitatively, without taking integrals.
Assuming that you answered this question correctly, show that the problem of
a generic 1D shallow
R
well reduces to the problem in Part (a) with the effective
parameter λ = V (x) dx. Compare the variational bound-state energy E0 with
the potential depth V0 . Are they of the same order or much different?
(c) Now consider a shallow potential in two dimensions (2D) and in three dimensions
(3D). Using a similar variational approach qualitatively (without calculating inte-
grals), draw conclusions whether a shallow well has a bound state in these cases.
Clarification: You are asked to present only naive variational conclusions. Tech-
nically, the variational method can prove the existence of a bound state (as is the
case for 1D), but cannot prove the absence of a bound state (in 2D and 3D). Other
methods show that a shallow well does have a bound state in 2D, but not in 3D.
(d) Now consider a deep potential well, for which the condition (7) is reversed. Is
there a bound state in 1D, 2D, and 3D? How does the ground-state energy E0
compare with V0 and the wavefunction width a with w for a deep well?

3. 5 points. Variational derivation of Schrödinger’s equation.

Let us consider the energy functional of a quantum particle:

h̄2 0
Z !
H{ψ(x)} = dx |ψ (x)|2 + V (x)|ψ(x)|2 , (8)
2m
Homework #3, PHYS 623, Spring 2019, Prof. Yakovenko 3

where the first term is kinetic energy and the second term potential energy.
By applying the calculus of variations, show that the wave function ψ0 (x) that mini-
mizes the energy functional (8) satisfies Schrödinger’s equation

h̄2 00
− ψ (x) + V (x)ψ0 (x) = E0 ψ0 (x), (9)
2m 0
where E0 is the ground state energy. When minimizing the functional (8), we must
take into account the normalization constraint
Z
dx |ψ(x)|2 = 1, (10)

indicating that there is only one particle in the state ψ(x).

Hint: Because of the constraint (10), we should use the method of Lagrange multipliers,
i.e. minimize the modified functional
h̄2 0
Z !
H̃{ψ(x)} = dx |ψ (x)|2 + V (x)|ψ(x)|2 − E|ψ(x)|2 , (11)
2m

where E is a Lagrange multiplier with the dimension of energy.

Comment: Other energy eigenstates can be obtained as the extrema (but not neces-
sarily the minima) of the quantum energy functional.

4. 30 points. Polaron in 1D.

Consider a quantum particle of mass m moving in 1D and interacting with a real (not
complex) field φ(x), so that the total energy functional of the system is

h̄2 ∂ 2
Z ( " # )
∗
H1 {ψ(x), φ(x)} = dx ψ (x) − + φ(x) ψ(x) + g φ2 (x) , (12)
2m ∂x2

where ψ(x) is a normalized wave function of the particle, and g ≥ 0 is an interaction

constant. The ground state of the system is obtained by minimizing the functional
(12) with respect to both φ(x) and ψ(x).

(a) By applying the calculus of variations, minimize the functional (12) exactly with
respect to φ(x) and find the energy functional H2 {ψ(x)} in terms of ψ(x) only.
(b) Use a trial function ψa (x), e.g. from Eq. (6), to find a bound state of H2 {ψ(x)}.
What are the energy E0 of the ground state, the width a of the wave function
ψ0 (x), and the width and depth of the corresponding potential φ0 (x)?
(c) Apply a variational approach to the same problem in 2D and 3D qualitatively. Is
there a bound state in these cases? If so, what are its characteristics?
(d) Using the calculus of variations, derive an exact equation for the function ψ0 (x)
that minimizes H2 {ψ(x)}.
Hint: The obtained equation is called the nonlinear Schrödinger’s equation.
4 Homework #3, PHYS 623, Spring 2019, Prof. Yakovenko

(e) Solve this equation exactly in 1D and find ψ0 (x) and E0 . Compare your exact
results with the variational results in Part (b).
Hint: Multiply the nonlinear Schrödinger’s equation derived in Part (d) by ψ 0 (x)
and show that the resulting equation has the form d(. . .)/dx = 0. It means that
(. . .) is a constant, which is equal to zero due to boundary conditions at |x| → ∞.
The equation (. . .) = 0 contains ψ 0 (x) and ψ(x) and can be solved by separation
of the variables ψ and x and subsequent integration. To calculate the integral,
change the variable ψ → 1/ψ and use the following indefinite integral

dy y 
Z  
√ 2 = arccosh  . (13)
y − b2 b
 

Find the remaining constant in ψ0 (x) from the normalization condition (10) and
Z +∞
dz
= 2. (14)
−∞ cosh2 (z)

In solid state physics, the field φ(x) may represent phonons, ψ(x) electrons, and func-
tional (12) the electron-phonon interaction. A bound state of the electron and the
phonon field is called a polaron. From mathematical point of view, it is a soliton, a
self-localized solution of non-linear differential equations.

February 17, 2019