Paper 1, Section II, D

Applications of Quantum Mechanics
Part II, 2013

Consider a quantum system with Hamiltonian H^\widehat{H}and energy levels

E0<E1<E2<E_{0}<E_{1}<E_{2}<\ldots

For any state ψ|\psi\rangle define the Rayleigh-Ritz quotient R[ψ]R[\psi] and show the following:

(i) the ground state energy E0E_{0} is the minimum value of R[ψ]R[\psi];

(ii) all energy eigenstates are stationary points of R[ψ]R[\psi] with respect to variations of ψ|\psi\rangle.

Under what conditions can the value of R[ψα]R\left[\psi_{\alpha}\right] for a trial wavefunction ψα\psi_{\alpha} (depending on some parameter α\alpha ) be used as an estimate of the energy E1E_{1} of the first excited state? Explain your answer.

For a suitably chosen trial wavefunction which is the product of a polynomial and a Gaussian, use the Rayleigh-Ritz quotient to estimate E1E_{1} for a particle of mass mm moving in a potential V(x)=gxV(x)=g|x|, where gg is a constant.

[You may use the integral formulae,

0x2nexp(px2)dx=(2n1)!!2(2p)nπp0x2n+1exp(px2)dx=n!2pn+1\begin{aligned} \int_{0}^{\infty} x^{2 n} \exp \left(-p x^{2}\right) d x &=\frac{(2 n-1) ! !}{2(2 p)^{n}} \sqrt{\frac{\pi}{p}} \\ \int_{0}^{\infty} x^{2 n+1} \exp \left(-p x^{2}\right) d x &=\frac{n !}{2 p^{n+1}} \end{aligned}

where nn is a non-negative integer and pp is a constant. ]