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Quantum Physics 1: Week 4 Problem Set

This document provides the problem set for the 4th week of a Quantum Physics 1 course. It includes 6 problems (W4.1 to W4.3) related to quantum mechanical systems with one-dimensional potentials. Students are assigned homework problems from the textbook as well as additional optional problems. Problems W4.1 to W4.3 are explained in detail and involve calculating energies and wavefunctions for particle in a box systems, two-state systems, and properties of operators.

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0% found this document useful (0 votes)
22 views3 pages

Quantum Physics 1: Week 4 Problem Set

This document provides the problem set for the 4th week of a Quantum Physics 1 course. It includes 6 problems (W4.1 to W4.3) related to quantum mechanical systems with one-dimensional potentials. Students are assigned homework problems from the textbook as well as additional optional problems. Problems W4.1 to W4.3 are explained in detail and involve calculating energies and wavefunctions for particle in a box systems, two-state systems, and properties of operators.

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popbop67
Copyright
© All Rights Reserved
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Available Formats
Download as PDF, TXT or read online on Scribd

Problem set for 4th week of the course Quantum Physics 1

(version 2023/2024)

Homework, to be made before/after the tutorial:


From the book – Chapter 2 – 2.29, 2.34, Chapter 3 – 3.1, 3.3, 3.5, and problems W4.2 – W.4.3 of this
handout.

Problems to work on during tutorial:


Problem W4.1 (this handout) and Chapter 2, problem 2.33. This is the minimum set to be completed
during the tutorial.

Other good problems that we selected (we advise you to make these for the topics where you need or
like to do extra training):
Chapter 2 –2.43, 2.47 and Chapter 3 – 3.2, 3.4, 3.6.

Problem W4.1
In a molecule, an electron is tightly bound to the other particles in the system. In one direction, however,
it is free to move a little bit from one atom to a neighboring atom. Along this direction, the electron
experiences a one-dimensional potential V(x) as a function of position x. The potential V(x) can be
approximated very well by the potential landscape as in the following sketch.
V=∞ V=∞

V = V0

V=0
x
-a 0 a
region 1 region 2 region 3 region 4

a) Give the Hamiltonian for this system, with the potential V(x) written out for each region along x.

b) It turns out that the energy for the ground state of this system Eg > V0. Consequently, a general form
for the part of the wavefunctions of the energy eigenstates in region 2 will be ϕ 2 ( x ) = Ae
ik 2 x
+ Be − ik 2 x
, while for region 3 it will be ϕ3 (x ) = Ceik x + De−ik x . In regions 1 and 4 the wavefunctions will be
3 3

zero. Explain why this can be assumed for regions 1, 2, 3 and 4 (see also question c).

c) Give expressions for k2 and k3. Show how these expressions can be derived from the time-independent
Schrödinger equation.

d) To find the energy eigenvalues and eigenfunctions of this system, one needs to write down equations
that can be used to solve for A, B, C and D. Explain how one can define the set of equations needed to
solve this problem and give these equations (do not worry about normalization of the eigenstates yet).

e) Show that working out this problem of d) is equivalent to solving the following linear algebra problem:
 
Mv = s , with

 1 1 −1 −1   A 0
     
 ik − ik2 − ik3 ik3   B  0 .
M =  − ik22 a , v =  , s = 
e eik 2 a 0 0 C 0
     
 0 0 eik 3 a e− ik 3 a   D 0
    

f) Use qualitative reasoning to find out what the shape is of the wavefunction for ground state and the
first excited state as a function of x. Draw a sketch for these two wavefunctions and explain your
answer. Hint: consider this system as the result of two coupled particle-in-a-box systems, where the
width of the tunnel barrier between the two boxes is reduced to zero, and the degeneracy of the two
boxes is lifted. Also use the answer on c) if needed.

1/3
Problem W4.2
In this problem you practice quantum mechanical calculation on systems that can be represented by 2x2
matrix representations.
In a diatomic molecule, like H2, the electron feels the attraction of the nuclei. A good approximation for
the potential landscape is sketched below.

Potential

-a 0 a
Position

The barrier between the two wells is so high, that the tunneling between the left and right well is
negligible. In this situation, the system has two energy eigenstates with the same energy E0. One of these
states, denoted as |ϕL〉, corresponds to the particle being localized around –a in the left well. The other
energy eigenstate, denoted as |ϕR〉, corresponds to the particle being localized around +a in the right well.
All other energy eigenstates are so high in energy that they do not need to be considered. The system can
therefore be described as a two-state system. It is then convenient to use a matrix and vector
representation that uses |ϕL〉 and |ϕR〉 as basis vectors, which gives the following relations (Ĥ0 is the
Hamiltonian):
�0 = �𝐸𝐸0
𝐻𝐻
0 1 0
�, |𝜑𝜑𝐿𝐿 ⟩ = � �, |𝜑𝜑𝑅𝑅 ⟩ = � �.
0 𝐸𝐸0 0 1
When the molecule is placed in a static electric field of 1 V/nm, the only effect on the potential for the
electron is that the barrier between the two wells becomes lower. In that case tunneling between the two
wells can no longer be neglected when describing the dynamics of the electron. Using the same matrix
notation as before (also in the same basis), the Hamiltonian of the system is now (here T is a real and
negative number):
�0 = �𝐸𝐸0
𝐻𝐻
𝑇𝑇
�.
𝑇𝑇 𝐸𝐸0
For the rest of the problem, assume that the static electric field is on!

a) From symmetry arguments it is known that the energy eigenstates of the Hamiltonian Ĥ are symmetric
and anti-symmetric superpositions of |ϕL〉 and |ϕR〉, which are (using the same basis and vector notation
as in the above expression)
 1   1 
 2  and  2.
 1   1 
  − 
 2  2

Here, one of these vectors is the ground state |ϕg〉 and the other the excited state |ϕe〉
Calculate the energy eigenvalues Eg and Ee that belong to these energy eigenvectors, and show which
eigenvector is the ground state and which one is the excited state.

b) Prove that these energy eigenstates of Ĥ are normalized and orthogonal.

c) There is an operator (observable) Â for the position of the electron in this double well system,
− a 0
Aˆ ↔   .
 0 a
Calculate whether  commutes with Ĥ0, and whether  commutes with Ĥ.

2/3
d) What are the eigenvectors and eigenvalues of Â?

e) There is an experimental apparatus that can measure the physical property described by  (determine
whether the electron is in the left or the right well by performing a measurement of a short time). For the
case that the system is in the ground state of Ĥ, discuss what the possible measurements outcomes are,
derive the probability for each of the measurement outcomes, and what the state is immediately after the
measurement for each of the measurement outcomes.

f) Repeat question e), but now for the case that the system is at the moment of measurement in the state
1 2
Ψ = ϕg + ϕe .
3 3

g) The outcome of a measurement of  (which ended at time t = 0) is that the particle is in the left well.
Express the state at t = 0 in terms of state |ϕg〉 and |ϕe〉.

h) Calculate the value of the four quantities


ϕ g Aˆ ϕ g , ϕe Aˆ ϕe , ϕ g Aˆ ϕe and ϕe Aˆ ϕ g .
Describe in words what these quantities represent.

i) Following up on question g) and h), calculate how  depends on time for t > 0. Describe in words
what the calculation represents.

Problem W4.3
Suppose an operator  has an eigenfunction φ1 with eigenvalue a1. It is non-degenerate: there are no
other (linearly independent) eigenfunctions having eigenvalue a1. An operator B̂ commutes with  ,
which is usually written as [ Aˆ , Bˆ ] = 0 .

a) Show that φ1 is also an eigenfunction of B̂ .


Hint: Show that Bˆ ϕ1 is an eigenfunction of  , and use the fact that φ1 is non-degenerate.

Now suppose there are two linearly independent eigenfunctions of  : φ1 and φ2, each having
eigenvalue a. Any linear combination c1 φ1 + c2 φ2 is an eigenfunction of  corresponding to
eigenvalue a, so now all we can say is that Bˆ ϕ1 and Bˆ ϕ 2 are linear combinations of φ1 and φ2. Note
that φ1 and φ2 are not necessarily also eigenfunctions of B̂ .

However, it can be shown that when an operator  has n linearly independent degenerate
eigenfunctions, one can form n linear combinations that are also eigenfunctions of B̂ (if  and B̂
commute).

Let’s apply this to a free particle in one dimension.


b) Show that the Hamiltonian of a free particle commutes with the momentum operator.

 2k 2
The functions cos(kx) and sin(kx) are eigenfunctions of the Hamiltionian (with energy ), but not
2m
of momentum.

c) Show that you can indeed create 2 different linear combinations of cos(kx) and sin(kx) that are
eigenfunctions of p̂x .

3/3

Common questions

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The values \( \langle \psi_g | \hat{A} | \psi_g \rangle, \langle \psi_g | \hat{A} | \psi_e \rangle, \langle \psi_e | \hat{A} | \psi_g \rangle, \text{and} \langle \psi_e | \hat{A} | \psi_e \rangle \) represent expectation values and transition amplitudes associated with the position operator \( \hat{A} \) in the context of the system's ground state \( |\psi_g\rangle \) and excited state \( |\psi_e\rangle \). Specifically, \( \langle \psi_g | \hat{A} | \psi_g \rangle \) and \( \langle \psi_e | \hat{A} | \psi_e \rangle \) give the average position of the particle in each of these states, reflecting their likelihood of localization in either potential well. Meanwhile, \( \langle \psi_g | \hat{A} | \psi_e \rangle \) and \( \langle \psi_e | \hat{A} | \psi_g \rangle \) describe the probability amplitude for transitioning between the ground and excited states, which relates to coherent tunneling effects under the external electric field .

To derive the expressions for k2 and k3 from the time-independent Schrödinger equation for this system, one needs to recognize the potential landscape V(x) in the specific regions. The Schrödinger equation is given by \(-\frac{\hbar^2}{2m}\frac{d^2\psi}{dx^2} + V(x)\psi = E\psi\). In region 2, the potential is V(x) = V0 and the total energy E > V0, leading to \(k2 = \sqrt{\frac{2m(E-V0)}{\hbar^2}}\) for a free moving wave solution. In region 3, a similar process reveals \(k3 = \sqrt{\frac{2m(E-V0)}{\hbar^2}}\), using the fact that the potential and energy relationship remains unchanged between regions 2 and 3 .

In a double well system with an electric field applied, the symmetry of the wavefunctions provides significant insight into how energy levels split due to the field influence. When the system is symmetric (i.e., the wells are identical and there is no external field), the states would be degenerate. However, an electric field alters the potential landscape, allowing for tunneling, which lifts the degeneracy. The energy eigenstates become symmetric and anti-symmetric superpositions of the original degenerate states |ϕL〉 and |ϕR〉, with energies that reflect the field-induced interaction term T in the Hamiltonian \( \hat{H} = \begin{pmatrix} E_0 & T \\ T & E_0 \end{pmatrix} \). The new eigenvalues represent the system's ground and excited states, with the symmetric combination having lower energy than the anti-symmetric one due to constructive and destructive interference, respectively .

To construct eigenfunctions of the momentum operator from cos(kx) and sin(kx), which are solutions of the free particle Hamiltonian, notice that the momentum operator \( \hat{p} = -i\hbar \frac{d}{dx} \) yields eigenfunctions of the form \( e^{ikx} \) where the eigenvalue is \( \hbar k \). The functions cos(kx) and sin(kx) can be expressed in terms of exponential functions \( e^{ikx} \) and \( e^{-ikx} \). Specifically, \( cos(kx) = \frac{e^{ikx} + e^{-ikx}}{2} \) and \( sin(kx) = \frac{e^{ikx} - e^{-ikx}}{2i} \). Therefore, linear combinations such as \( a e^{ikx} + b e^{-ikx} \) are eigenfunctions of \( \hat{p} \), demonstrating that the correct linear combinations of these functions satisfy the eigenfunction requirement with respect to the momentum operator .

When a static electric field is present in a two-state quantum system like a double well, the Hamiltonian changes to \( \hat{H} = \begin{pmatrix} E_0 & T \\ T & E_0 \end{pmatrix} \), allowing for tunneling between the wells. The position operator \( \hat{A} = \begin{pmatrix} -a & 0 \\ 0 & a \end{pmatrix} \) then has observable effects due to non-zero overlap between the states. Measurement outcomes depend on the current quantum state. If the system is in one of the (new) superposition states determined by the field-induced Hamiltonian, the probability of measuring the electron in either the left or right well becomes non-trivial. The probabilities can be computed using the respective amplitudes of these combined states, indicating the field's role in lifting degeneracy and creating state mixing .

The temporal evolution of an observable like the position operator \( \hat{A} \) in a double well system can be determined using the Heisenberg picture or by applying time-dependent Schrödinger equation principles where \( \hat{A}(t) = U(t)^{\dagger} \hat{A}(0) U(t) \), and \( U(t) \) is the time evolution operator \( e^{−i\hat{H}t/\hbar} \) with the Hamiltonian \( \hat{H} = \begin{pmatrix} E_0 & T \\ T & E_0 \end{pmatrix} \). This computation shows how the operator changes over time due to the field-induced state mixing. Physically, this represents the oscillation of localization probabilities between the wells, which occurs because tunneling enables the particle to dynamically shift between potential energy states over time .

In the problem, transforming the quantum mechanical differential equations into a matrix equation \( \mathbf{v} = \mathbf{M} \mathbf{s} \), where \( \mathbf{v} \) and \( \mathbf{s} \) are vectors of coefficients of the wavefunction, is crucial for finding energy eigenvalues and eigenfunctions. This involves setting up a system of equations based on boundary conditions and continuity of the wavefunction and its derivative at various potential boundaries. Each entry of the matrix \( \mathbf{M} \) encapsulates these boundary conditions and the potential landscape. By solving the determinant \( \det(\mathbf{M} - \lambda \mathbf{I}) = 0 \), where \( \lambda \) represents energy levels, one finds the eigenenergies, while solving the resulting homogeneous system \( \mathbf{M} \mathbf{s} = 0 \) gives the coefficients of the different stationary state solutions .

In the given potential barrier scenario, regions 1 and 4 represent areas where the potential V(x) is infinite (i.e., V = ∞). In quantum mechanics, this implies that the probability of finding an electron in these regions is zero, as the energy of the particle cannot surpass an infinite barrier. Consequently, the wavefunctions ψ in these regions must also be zero, aligning with the boundary condition that no physical state can exist in an infinitely high potential energy region. This creates confinement, leading to well-defined boundary conditions for solving the Schrödinger equation in the finite potential regions 2 and 3 .

For non-degenerate eigenfunctions, commutativity between an operator \( \hat{A} \) and another \( \hat{B} \) implies that eigenstates of \( \hat{A} \) are also eigenstates of \( \hat{B} \), maintaining a unique eigenvalue correspondence. However, with degenerate eigenfunctions, while \( \hat{A} \) and \( \hat{B} \) still commute meaning they share a set of eigenfunctions, the degeneracy allows for linear combinations of these eigenfunctions to represent physically distinguishing bases for \( \hat{B} \) within the degenerate subspace. Therefore, one can form independent linear combinations that are also eigenfunctions of \( \hat{B} \). This leads to potentially different physical interpretations, such as symmetry breaking or lifting of degeneracy depending on the measurement or the interactions introduced .

Quantifying the probabilities and resulting states involves projecting the initial state onto the eigenstates of the position operator, \( \hat{A} \), which determines localization. Given the superposed initial state \( \Psi = c_1 |\psi_g\rangle + c_2 |\psi_e\rangle \), the probability of finding the particle in either well can be calculated using \( P_{L/R} = |\langle L/R|\Psi\rangle|^2 \), where \( |L\rangle \) and \( |R\rangle \) are the left and right well localization states expressed in the ground and excited state basis. After a measurement yielding, say, localization in the left well, the post-measurement state collapses to \( |L\rangle \) with a probability error reflecting the initial state coefficient magnitudes \( |c_1|^2 \) and \( |c_2|^2 \).

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