Quantum pendulum

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 non-linearity, the Schrödinger equation for the quantized system can be solved relatively easily.

Schrödinger Equation

Using Lagrangian theory 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 is constant and there is no motion along the z axis). The kinetic energy and potential energy of the system can be found to be as follows:

T=\frac{1}{2} m l^2 \dot{\phi}^2
U=m g l (1-\cos(\phi))

This results in the Hamiltonian:

\hat{H} = \frac{\hat{p}^2}{2 m l^2} + m g l (1-\cos(\phi))

The time-dependent Schrödinger equation for the system is as follows:

i \hbar \frac{d\Psi}{dt} = - \frac{\hbar^2}{2 m l^2} \frac {\mathrm{d}^2 \Psi} {\mathrm{d} \phi^2}+m g l (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:

\eta = \phi + \pi
E \psi = - \frac{\hbar^2}{2 m l^2} \frac {\mathrm{d}^2 \psi} {\mathrm{d} \eta^2}+m g l (1+\cos(\eta)) \psi

This is simply Mathieu's equation where the solutions are Mathieu functions

0 = \frac {\mathrm{d}^2 \psi} {\mathrm{d} \eta^2}+(\frac{2 m E l^2} {\hbar^2}-\frac{2 m^2 g l^3} {\hbar^2}-\frac{2 m^2 g l^3} {\hbar^2} \cos(\eta)) \psi

Solutions

Energies

Given q, for countably many special values of a, called characteristic values, the Mathieu equation admits solutions which are periodic with period 2\pi. The characteristic values of the Mathieu cosine, sine functions respectively are written a_n(q), \, b_n(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 equal \pi).

The boundary conditions in the quantum pendulum imply that a_n(q), \, b_n(q) are as follows for a given q:

0 = \frac {\mathrm{d}^2 \psi} {\mathrm{d} \eta^2}+(\frac{2 m E l^2} {\hbar^2}-\frac{2 m^2 g l^3} {\hbar^2}-\frac{2 m^2 g l^3} {\hbar^2} \cos(\eta)) \psi
a_n(q), \, b_n(q)=\frac{2 m E l^2} {\hbar^2}-\frac{2 m^2 g l^3} {\hbar^2}

The energies of the system, E=m g l+\frac{\hbar^2 a_n(q), \, b_n(q)}{2 m l^2} 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 follows:

q=\frac{m^2 g l^3} {\hbar^2}

A depth potential depth yields the dynamics of a particle in an independent potential. In contrast, a shallow potential depth, 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  a_n(q), \, b_n(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 \left( a_n(q),q,x \right) = \frac{CE(n,q,x)}{CE(n,q,0)}
S \left( b_n(q),q,x \right) = \frac{SE(n,q,x)}{SE^\prime(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.

Bibliography

External links

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