Quantum pendulum explained

The quantum pendulum is fundamental in understanding hindered internal rotations in chemistry, quantum features of scattering atoms, as well as numerous other quantum phenomena. Though a pendulum not subject to the small-angle approximation has an inherent nonlinearity, the Schrödinger equation for the quantized system can be solved relatively easily.

Schrödinger equation

Using Lagrangian mechanics from classical mechanics, one can develop a Hamiltonian for the system. A simple pendulum has one generalized coordinate (the angular displacement

\phi

) and two constraints (the length of the string and the plane of motion). The kinetic and potential energies of the system can be found to be

T=

1
2

ml2

\phi

2,

U=mgl(1-\cos\phi).

This results in the Hamiltonian

\hat{H}=

\hat{p
2}{2

ml2}+mgl(1-\cos\phi).

The time-dependent Schrödinger equation for the system is

i\hbar

d\Psi
dt

=-

\hbar2
2ml2
d2\Psi
d\phi2

+mgl(1-\cos\phi)\Psi.

One must solve the time-independent Schrödinger equation to find the energy levels and corresponding eigenstates. This is best accomplished by changing the independent variable as follows:

η=\phi+\pi,

\Psi=\psie-iEt/\hbar,

E\psi=-

\hbar2
2ml2
d2\psi
dη2

+mgl(1+\cosη)\psi.

This is simply Mathieu's differential equation

d2\psi
dη2

+\left(

2mEl2
\hbar2

-

2m2gl3
\hbar2

-

2m2gl3
\hbar2

\cosη\right)\psi=0,

whose solutions are Mathieu functions.

Solutions

Energies

Given

q

, for countably many special values of

a

, called characteristic values, the Mathieu equation admits solutions that are periodic with period

2\pi

. The characteristic values of the Mathieu cosine, sine functions respectively are written

an(q),bn(q)

, where

n

is a natural number. The periodic special cases of the Mathieu cosine and sine functions are often written

CE(n,q,x),SE(n,q,x)

respectively, although they are traditionally given a different normalization (namely, that their

L2

norm equals

\pi

).

The boundary conditions in the quantum pendulum imply that

an(q),bn(q)

are as follows for a given

q

:
d2\psi
dη2

+\left(

2mEl2
\hbar2

-

2m2gl3
\hbar2

-

2m2gl3
\hbar2

\cosη\right)\psi=0,

an(q),bn(q)=

2mEl2
\hbar2

-

2m2gl3
\hbar2

.

The energies of the system,

E=mgl+

\hbar2an(q),bn(q)
2ml2
for even/odd solutions respectively, are quantized based on the characteristic values found by solving the Mathieu equation.

The effective potential depth can be defined as

q=

m2gl3
\hbar2

.

A deep potential yields the dynamics of a particle in an independent potential. In contrast, in a shallow potential, Bloch waves, as well as quantum tunneling, become of importance.

General solution

The general solution of the above differential equation for a given value of a and q is a set of linearly independent Mathieu cosines and Mathieu sines, which are even and odd solutions respectively. In general, the Mathieu functions are aperiodic; however, for characteristic values of

an(q),bn(q)

, the Mathieu cosine and sine become periodic with a period of

2\pi

.

Eigenstates

For positive values of q, the following is true:

C(an(q),q,x)=

CE(n,q,x)
CE(n,q,0)

,

S(bn(q),q,x)=

SE(n,q,x)
SE'(n,q,0)

.

Here are the first few periodic Mathieu cosine functions for

q=1

.Note that, for example,

CE(1,1,x)

(green) resembles a cosine function, but with flatter hills and shallower valleys.

See also

Bibliography