Advanced Quantum Mechanics: Problem Sheet 9

1. Basis independence of the definition of the thermal density matrix

We defined the thermal density matrix as
! e−βEn !
ρβ = |n〉〈n| , where Z= e−βEn
n
Z n

a) By using the relation true for any complete orthonormal set of states (i.e. an
orthnormal basis of the Hilbert space)
!
1= |n〉〈n| ,
n

show that
1 −β Ĥ
ρβ =
e ,
Z
where Ĥ is the Hamiltonian of the system.
b) Show that the thermal average of any operator A is given by

Tr( e−β Ĥ A)
〈A〉β = .
Tr( e−β Ĥ )

Answer

a) Let us multiply the expression with Ĥ with the expression for the identity
1 −β Ĥ 1 ! !1 !1
e = e−β Ĥ |n〉〈n| = e−β Ĥ |n〉〈n| = e−βEn |n〉〈n|
Z Z n n
Z n
Z

where we used e−β Ĥ |n〉 = e−βEn |n〉.

b) So first we rewrite
! !
Z= e−βEn = 〈n|e−β Ĥ |n〉 = Tr(e−β Ĥ )
n n

Then " #
1 Tr( e−β Ĥ A)
〈A〉β = Tr(A ρβ ) = Tr A e−β Ĥ = .
Z Tr( e−β Ĥ )

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2. Consider a spin-half system with basis { | ↑〉, | ↓〉 } and Hamiltonian H = 12 (1+σ1 ).
a) Show that the energy egienvalues are 0 and 1 and find the corresponding eigen-
states |0〉 and |1〉.
b) Calculate the partition function Z(β).
c) Calculate the thermal density matrix ρβ using the definition from the lectures.
d) Express ρβ in terms of the basis states | ↑〉 and | ↓〉.
e) Calculate the probabilty of finding the system in state | ↑〉 and the probabilty
of finding the system in state |1〉.
Recall from the lecture that the probability of finding a system in state |ψ〉 is

P = Tr( ρ |ψ〉〈ψ| ) .

where we have assumed that 〈ψ|ψ〉 = 1.

Answer

a) In the representation
" # " #
1 0
| ↑〉 = , | ↓〉 = ,
0 1
The Hamiltonian is " #
1 1 1 1
H = (1 + σ1 ) = .
2 2 1 1
The characteristic equation is
$ $ " #2
$1/2 − E 1/2 $ 1 1
$ $= E− − = E2 − E = 0
$ 1/2 1/2 − E $ 2 4
And the solutions are E0 = 0 and E1 = 1.
The eigenvectors can be found as usual, so for E = 0
" #" # " #
1 1 1 1 1 1+a
= = 0,
2 1 1 a 2 1+a
so a = −1. Fixing√the normalisation and switching to the original notation,
|0〉 = (| ↑〉 − | ↓〉)/ 2.
For E = 1 " #" # " #
1 1 1 1 1 1+a
= = 1,
2 1 1 a 2 1+a
√
so a = 1 and in the original notation |1〉 = (| ↑〉 + | ↓〉)/ 2.

2
b) !
Z(β) = e−βEn = e−βE0 + e−βE1 = 1 + e−β .
n

c)
! e−βEn 1 % &
−β
ρβ = |n〉〈n| = |0〉〈0| + |1〉〈1| e
n
Z(β) 1 + e−β

d)
" #
1 1% &% & 1 −β % &% &
ρβ = | ↑〉 − | ↓〉 〈↑ | − 〈↓ | + e | ↑〉 + | ↓〉 〈↑ | + 〈↓ |
1 + e−β 2 2
" −β −β
#
1 1+e 1+e 1 − e−β 1 − e−β
= | ↑〉〈↑ | + | ↓〉〈↓ | − | ↑〉〈↓ | − | ↓〉〈↑ |
1 + e−β 2 2 2 2
" " # " # #
1 β β
= | ↑〉〈↑ | + | ↓〉〈↓ | − tanh | ↑〉〈↓ | − tanh | ↓〉〈↑ |
2 2 2

e)
1
P↑ = Tr(ρβ | ↑〉〈↑ |) = 〈↑ | ρ | ↑〉 = .
2
1 1 % −β
& e−β
P|1〉 = Tr(ρβ |1〉〈1|) = 〈1| ρ |1〉 = = 〈1| |0〉〈0| + |1〉〈1| e |1〉 =
2 1 + e−β 1 + e−β

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3. Consider a thermal density matrix following the Bolzmann-Maxwell distribution
1 ! −βEn
ρ̂ = e |ψn 〉〈ψn |
Z n

where ψn are normalized energy eigenstates. Find an expression for the Von Neu-
mann entropy of this system

Answer

Since the density matrix is given in terms of an orthonormal basis, log acts on
each entry in the matrix
!
− log ρ̂ = (βEn + log Z)|ψn 〉〈ψn |
n

so
1!
−ρ̂ log ρ̂ = (βEn + log Z)e−βEn |ψn 〉〈ψn |
Z n
and
1!
S = − Tr ρ̂ log ρ̂ = (βEn + log Z)e−βEn
Z n
We can further manipulate this expression
1! 1 !
S= (−β∂β + log Z)e−βEn = (log Z − β∂β ) e−βEn
Z n Z n
1
= (log Z − β∂β )Z = (1 − β∂β ) log Z
Z

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4. Consider a simple harmonic oscillator in a thermal state, so described by a density
matrix following the Bolzmann-Maxwell distribution
∞
1 ! −βEn
ρ̂ = e |n〉〈n|
Z n=0

Write down explicit expressions (in terms of !, ω and β) for Z, the average energy
of the state and the Von Neumann entropy.
What is the limit of these quantities when T → 0 (β → ∞)?

Answer

The energies of the eigenstates of the harmonic oscillator are En = !ω(n + 1/2),
so
∞
! ∞
! 1 1
Z= e−βEn = e−β!ω(n+1/2) = e−β!ω/2 =
n=0 n=0
1 − e−β!ω 2 sinh(β!ω/2)

The average energy is

∂β Z !ω cosh(β!ω/2) !ω
Ē = −∂β log Z = − = 2 sinh(β!ω/2) 2 = coth(β!ω/2)
Z 4 sinh (β!ω/2) 2
Based on the last question, the Von Neumann entropy is then
% & β!ω
S = (1 − β∂β ) log Z = log Z − β Ē = log 2 sinh(β!ω/2) − coth(β!ω/2)
2

When we take β → ∞ we find that Z vanishes. cosh → 1, so Ē → !ω/2, which

means that the system is in the ground state. Indeed the entropy is
% & β!ω β!ω β!ω
S ∼ log eβ!ω/2 − eβ!ω/2 − ∼ − ∼ 0,
2 2 2
as would be expected for a pure state.
The last calculation is a bit naive, since we find in the limit ∞ − ∞, which could
be anything. But keeping the next term in the expansion takes care of it. For
large x
% & % & ! e−2nx
log ex − e−x = x + log 1 − e−2x = x − ∞
n=1
n
A similar expansion can be done to the coth and we find that there is no finite
terms, only exponentially suppressed terms as x → ∞. So indeed S → 0.
In the high-temperature limit β → 0, all the quantities diverge.

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5. Consider a system of non-interacting N spin-1/2 particles. They have a 2N -
dimensional Hilbert space which is the direct product of N copies of C2 . We
take the basis of states with N arrows pointing up or down. Define the state
1
|ψ〉 = √ (| ↑ · · · ↑〉 + | ↓ · · · ↓〉)
2
and the matching density matrix ρ̂ = |ψ〉〈ψ|.

a) Now split the system into two subsystems with p and N − p spins. Calculate
the entanglement entropy between the two subsystems. How does it depend on
p?
b) The maximal Von Neumann entropy for a density matrix in a 2p -dimensional
Hilbert space is log 2p = p log 2. If this density matrix arises from entanglement
of a pure state (one with zero entropy) within a larger system that includes these
p spins as a subsystem, find a lower bound on the dimension of the total Hilbert
space where this pure state resides.
c) Can you find an example realizing this?

Answer

a) The density matrix is

1'
| ↑ · · · ↑〉〈↑ · · · ↑ | + | ↑ · · · ↑〉〈↓ · · · ↓ |
2 (
+ | ↓ · · · ↓〉〈↑ · · · ↑ | + | ↓ · · · ↓〉〈↓ · · · ↓ | .

This is a rank one projector with zero entropy.

If p = 0 (or p = N ) we don’t have any entanglement, since one of the subsystems
is zero-dimensional, so See = 0. In all other cases the density matrix is a linear
combination of two states
1' (
| ↑ · · · ↑〉p 〈↑ · · · ↑ |p + | ↓ · · · ↓〉p 〈↓ · · · ↓ |p
2
where we indicated the number of arrows, so the dimension of the sub-Hilbert
space is 2p . For all p, this is a state is S = log 2, so does not depend on p.
b) Since the entanglement entropy of the two subsystems A and B are equal and
we want it to be equal to the maximal entropy for a 2p -dimensional Hilbert
space, both A and B need to be at least 2p -dimensional, so the full Hilbert
space is at least 22p -dimensional, or comprised of 2p spins

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c) We consider two subsystems A and B, each of p spins, each of dimension 2p .
Natural bases for them are states with arbitrary up or down arrows. For the
full Hilbert space there are 22p basis vectors, but we construct the state
2 p
1 !
|ψ〉 = |ψiA ψiB 〉
2p/2 i=1

A/B
where ψi are the basis vectors. So we take any collection of spins that is
identical between the two subsystems.
We have the pure-state density matrix
2 p
1 ! A B
ρ̂ = p |ψ ψ 〉〈ψiA ψiB |
2 i=1 i i

Now tracing over subsystem B gives the reduced density matrix

) 2p
* 2p
) 2p
*
1 ! A B ! 1 !
ρ̂A = TrB p
|ψi ψi 〉〈ψiA ψiB | = 〈ψjB | p
|ψiA ψiB 〉〈ψiA ψiB | |ψjB 〉
2 i=1 j=1
2 i=1
2 p
1 ! A A
= p |ψ 〉〈ψi |
2 i=1 i

This is indeed the maximally entangled state in the A system, with entropy
See = p log 2.