p.

21

MIT Department of Chemistry

5.74, Spring 2004: Introductory Quantum Mechanics II
Instructor: Prof. Andrei Tokmakoff

SCHRDINGER AND HEISENBERG REPRESENTATIONS

The mathematical formulation of the dynamics of a quantum system is not unique. Ultimately
we are interested in observables (probability amplitudes)we cant measure a wavefunction.
An alternative to propagating the wavefunction in time starts by recognizing that a unitary
transformation doesnt change an inner product.

j i = j U U i
For an observable:

j A i = j U A(U i ) = j U AU i
Two approaches to transformation:

1) Transform the eigenvectors: i U i . Leave operators unchanged.

2) Transform the operators: A U AU . Leave eigenvectors unchanged.

(1)

Schrdinger Picture: Everything we have done so far. Operators are stationary.

Eigenvectors evolve under U(t , t0

).

(2)

Heisenberg Picture: Use unitary property of U to transform operators so they evolve

in time. The wavefunction is stationary. This is a physically appealing picture, because
particles move there is a time-dependence to position and momentum.

Schrdinger Picture
We have talked about the time-development of , which is governed by

=H
t

in differential form, or alternatively

( t )
= U ( t, t 0 ) ( t 0 )

in an integral form.

p. 22

Typically for operators:

A
=0
t

What about observables? Expectation values:

A(t) = ( t ) A ( t )

or...

Tr ( A )
t

= i Tr A
t

A
+
A +

A
t
t
t

= AH HA

=i

= [ A, H ]

= Tr ( A [ H, ])

i
A =i
t

= Tr ([ A, H ] )

= [ A, H ]

If A is independent of time (as it should be in the Schrdinger picture) and commutes with H , it
is referred to as a constant of motion.

Heisenberg Picture

Through the expression for the expectation value,

A = (t) A (t)
= A(t)

= ( t 0 ) U A U ( t 0 )

we choose to define the operator in the Heisenberg picture as:

AH (t ) = U (t, t 0 )ASU (t, t 0 )

AH (t 0 ) = AS
Also, since the wavefunction should be time-independent

H = 0 , we can write
t

S (t ) = U(t, t 0 ) H
So,

H = U (t,t 0 ) S (t ) = S (t 0 )

p. 23
In either picture the eigenvalues are preserved:
A i

= a i i

U AUU i

= a i U i

A H i

= a i i

The time-evolution of the operators in the Heisenberg picture is:

A H
U
U
AS
= ( U AS U ) =
+ U
AS U + U AS
U
t t
t
t
t
i
i
A
= U H AS U U AS H U +

t H
i
i
= HH AH AH HH
=
i

[ A, H ]H

A H = [ A, H ]H
t

Heisenberg Eqn. of Motion

Here H H = U H U . For a time-dependent Hamiltonian, U and H need not commute.

Often we want to describe the equations of motion for particles with an arbitrary potential:
p2
H=
+ V(x)
2m
For which we have
p=

V
p
and x =
x
m

using x n , p = i nx n1 ; x, p n = i np n1

p. 24
THE INTERACTION PICTURE

When solving problems with time-dependent Hamiltonians, it is often best to partition the
Hamiltonian and treat each part in a different representation. Lets partition
H (t ) = H0 + V (t )
H0 : Treat exactlycan be (but usually isnt) a function of time.
V (t ) : Expand perturbatively (more complicated).

The time evolution of the exact part of the Hamiltonian is described by

i
U 0 ( t, t 0 ) = H 0 ( t ) U 0 ( t, t 0 )
t

where
i
U 0 ( t, t 0 ) = exp +

t0

d H 0 ( t )

eiH ( t t )
0

We define a wavefunction in the interaction picture I as:

S ( t ) U 0 ( t, t 0 ) I ( t )
I = U 0 S

or

Substitute into the T.D.S.E.

S = HS
t

for H 0 f ( t )

p. 25

i
U 0 ( t, t 0 ) I = H ( t ) U 0 ( t, t 0 ) I
t
I
U 0
i
I + U0
= ( H 0 + V ( t ) ) U 0 ( t, t 0` ) I
t
t
i

H0 U0 I + U0

I
i
=
H0 + V ( t ) U0 I
t

I
= VI I
t

where: VI ( t ) = U 0 ( t, t 0 ) V ( t ) U 0 ( t, t 0 )

I satisfies the Schrdinger equation with a new Hamiltonian: the interaction picture
Hamiltonian is the U0 unitary transformation of V (t ) .
Note: Matrix elements in VI

k VI l

= e ilk t Vkl where k and l are eigenstates of H0.

We can now define a time-evolution operator in the interaction picture:

I ( t ) = U I ( t, t 0 ) I ( t 0 )
i t

where U I ( t, t 0 ) = exp + d VI ( )
t0

S ( t ) = U 0 ( t, t 0 ) I ( t )
= U 0 ( t, t 0 ) U I ( t, t 0 ) I ( t 0 )
= U 0 ( t, t 0 ) U I ( t, t 0 ) S ( t 0 )
U ( t, t 0 ) = U 0 ( t, t 0 ) U I ( t, t 0 )
i t
U(t , t0 ) = U0 (t , t0 )exp + t d VI ( )
0

which is defined as

Order matters!

p. 26
U ( t, t 0 ) = U 0 ( t, t 0 ) +
n

n
2
i t

t 0 dn t 0 dn 1 t0 d1 U 0 ( t, n ) V ( n ) U 0 ( n , n 1 )

n =1
U 0 ( 2 , 1 ) V ( 1 ) U 0 ( 1 , t 0 )

where we have used the composition property of U(t , t0 ). The same positive time-ordering
applies. Note that the interactions V(i) are not in the interaction representation here. Rather we
have expanded
VI ( t ) = U 0 ( t, t 0 ) V ( t ) U 0 ( t, t 0 )

and collected terms.

For transitions between two eigenstates of H0, l and k: The system

H0

evolves in eigenstates of H0 during the different time periods, with the

time-dependent interactions V driving the transitions between these
states. The time-ordered exponential accounts for all possible
intermediate pathways.

1
VH

H0

H0
H0 H0

Also:

+i t

+i t

U ( t, t 0 ) = U I ( t, t 0 ) U 0 ( t, t 0 ) = exp d VI ( ) exp d H 0 ( )
t0
t0

or e
The expectation value of an operator is:
A(t ) = (t ) A (t )
= (t 0 )U (t,t0 )A U (t,t 0 ) (t0 )
= (t 0 )UIU0 AU0 UI (t 0 )
= I (t ) AI I ( t )
AI U0 AS U0
Differentiating AI gives:

iH (t t0 )

for H f (t )

p. 27

i
AI = [ H0 , AI ]
t
also,

i
I = VI ( t ) I
t

Notice that the interaction representation is a partition between the Schrdinger and Heisenberg
representations. Wavefunctions evolve under VI , while operators evolve under H0.

For H 0 = 0, V ( t ) = H
For H 0 = H, V ( t ) = 0

i
= 0;
S = H S
t
t
A i

= [ H, A ] ;
=0
t
t

Schrdinger
Heisenberg