Solutions:

Homework Set 6 — Density matrix

Due June 20, 2021

P
1. The trace of an operator is defined as Tr{A} = m hm|A|mi, where {|mi} is an arbitrary
orthonormal basis set. Introduce a second basis set, and use it to prove that the trace is
independent of the choice of basis.

Let {|αi} be an arbitrary second basis. In the basis {|mi}, the trace is
X
Tr{A} = hm|A|mi. (1)
m

In basis {|αi}, it is
X
Tr{A} = hα|A|αi. (2)
α

We can insert a complete set of m states

X
Tr{A} = hα|mihm|A|αi. (3)
α,m

re-ordering gives
X
Tr{A} = hm|A|αihα|mi (4)
α,m

P
We recognize the identity operator I = α |αihα|, which leads to the original expression
X
Tr{A} = hm|A|mi. (5)
m

1
2. Prove the linearity of the trace operation by proving

Tr{aA + bB} = aTr{A} + bTr{B} (6)

X
Tr{aA + bB} = hm|(aA + bB)|mi (7)
m
X X
=a hm|A|mi + b hm|B|mi (8)
m m

= aTr{A} + bTr{B} (9)

3. Prove the cyclic property of the trace by proving

Tr{ABC} = Tr{BCA} = Tr{CAB} (10)

X
Tr{ABC} = hm1 |ABC|m1 i (11)
m1
X
= hm1 |A|m2 ihm2 |B|m3 ihm3 |C|m1 i (12)
m1 ,m2 ,m3
X
= hm3 |C|m1 ihm1 |A|m2 ihm2 |B|m3 i = Tr{CAB} (13)
m1 ,m2 ,m3
X
= hm2 |B|m3 ihm3 |C|m1 ihm1 |A|m2 i = Tr{BCA} (14)
m1 ,m2 ,m3

6 Tr{BAC}
Note that this is not equivalent to non-cyclic permutations , Tr{ABC} =

4. Which of the following density matrices correspond to a pure state?

2
 !
2
7
0
ρ1 = 5
(15)
0 7
√ !
1 3
4√
i 4
ρ2 = 3 3
(16)
−i 4 4
!
0 0
ρ3 = (17)
0 1
√ !
1 2
ρ4 = √5 5
(18)
2 4
5 5

A pure state must satisfy ρ2 = ρ, or equivalently Trρ2 = Trρ = 1. Checking this, we have
ρ1 : Mixed
ρ2 : Pure
ρ3 : Pure
ρ4 : Mixed

5. The density matrix evolves with time. Derive the equation of motion

d i
ρ(t) = − [H, ρ(t)] (19)
dt ~

using the Schrodinger equation and the most general form of the density operator
X
ρ= pi |ψi ihψi | (20)
i

3
 d d X
ρ(t) = pi |ψi ihψi | (21)
dt dt i
X  d  
d

= pi |ψi i hψi | + |ψj i hψi | (22)
i
dt dt
X  i i

= pi − H|ψi ihψi | + |ψi ihψi |H (23)
i
~ ~
!
i X i X
=− H pi |ψi ihψi | + pi |ψi ihψi | H (24)
~ i
~ i
i
− − [H, ρ] (25)
~

6. A spin- 12 particle is in a statistical ensemble with a 50% probability to be in the |+z i state
(the eigenstate of Sz with eigenvalue ~/2) a 50% chance to be in |+x i (the eigenstate of Sx
with eigenvalue ~/2). [Note that these states are not orthogonal. Don’t worry about that
yet.] Use the standard procedure,
X
ρ= pi |ψi ihψi | (26)
i

to write this density operator in terms of states in the |±z i basis, and then as a matrix using
this basis. Use the density matrix to compute the probability that a measurement of the
z-component of spin will return value +~/2.
Now solve the eigenvalue/eigenvector problem for the density matrix. The eigenstates you
find are eigenstates of spin along a definite axis — that is, eigenstates of S · n̂ for some unit
vector n̂. Find n̂. What is the entropy of the density matrix, and is it the same as you would
guess at the beginning, knowing that there is a 50% chance to be in each of two states?
What would be a more proper description of the density matrix, in terms of probabilities to
be in orthogonal states?

√
We have a mixed state of |ψ1 i = |+z i with probability 1/2, and |ψ2 i = |+x i = 1/ 2(|+z i +
|−z i) with probability 1/2. The density operator is then

4
 X
ρ= pi |ψi ihψi | (27)
i
1 1
= |+z ih+z | + |+x ih+x | (28)
2 2
1 1 1 1
= |+z ih+z | + √ (|+z i + |−z i) √ (h+z | + h−z |) (29)
2 2 2 2
3 1 1 1
= |+z ih+z | + |+z ih−z | + |−z ih+z | + |−z ih−z | (30)
4 ! 4 4 4
3 1
4 4
= 1 1
(31)
4 4

The expectation value for Sz is

" ! !#
3 1 ~
4
0 4 2
Tr(ρSz ) = Tr 1 1
(32)
0 − ~2
4 4
" !#
~ 3 −1
= Tr (33)
8 1 −1
 
~ 3 1
= − (34)
2 4 4
~
= (35)
4

with probability of measuring +~/2

p(+z ) = h+z |ρ|+z i (36)

3
= (37)
4

and probability of measuring −~/2

p(−z ) = h−z |ρ|−z i (38)

1
= (39)
4

5
 The eigenvectors are
√ !
1 1+ 2
ψ1 = √ (40)
2(2 + 2) 1
√ !
1 1− 2
ψ2 = √ (41)
2(2 − 2) 1
√ √
and eigenvalues λ1 = 41 (2 + 2) and λ2 = 14 (2 − 2)

For the angle of n̂, we note that the vector is in the x − z plane, so the azimuthal angle is
φ = 0 and we only need to know the angle θ with respect to the z axis, n̂ = (sin θ, cos θ). The
eigenvalues of S · n̂ have the form
!
cos 2θ
ψ= (42)
sin 2θ
1
=⇒ θ1 = 2 tan−1 √ (43)
1+ 2
π
= (44)
4
1
θ2 = 2 tan−1 √ (45)
1− 2
3π
=− (46)
4

And finally we have

n̂ = (sin θ, 0, cos θ) (47)

1
=⇒ n̂1 = √ (1, 0, 1) (48)
2
1
n̂2 = − √ (1, 0, 1) (49)
2

The entropy is

S(ρ) ≡ −Tr [ρ log ρ] (50)

X
=− λi log λi (51)
i
√ √ √ √
   
1 1 1 1
= − (2 + 2) log (2 + 2) − (2 − 2) log (2 − 2) (52)
4 4 4 4
' 0.6 (53)

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(using base 2 logarithm to measure in bits).
This is different then the case where the system has equal probability to be in every state of
an orthogonal basis (e.g., 1/2 probability |+z i and 1/2 probability |−z i). In that case the entropy
is maximual S = 1.
The simpler way to describe the system is being in state ψ1 with probability λ1 and state ψ2
with probability λ2 , the orthogonal basis where the density matrix is diagonal:

ρ = λ1 |ψ1 ihψ2 | + λ2 |ψ2 ihψ2 | (54)