Paper 1, Section II, E

Applications of Quantum Mechanics
Part II, 2012

Give an account of the variational principle for establishing an upper bound on the ground-state energy E0E_{0} of a particle moving in a potential V(x)V(x) in one dimension.

A particle of unit mass moves in the potential

V(x)={x0λxx>0V(x)= \begin{cases}\infty & x \leqslant 0 \\ \lambda x & x>0\end{cases}

with λ\lambda a positive constant. Explain why it is important that any trial wavefunction used to derive an upper bound on E0E_{0} should be chosen to vanish for x0x \leqslant 0.

Use the trial wavefunction

ψ(x)={0x0xeaxx>0\psi(x)= \begin{cases}0 & x \leqslant 0 \\ x e^{-a x} & x>0\end{cases}

where aa is a positive real parameter, to establish an upper bound E0E(a,λ)E_{0} \leqslant E(a, \lambda) for the energy of the ground state, and hence derive the lowest upper bound on E0E_{0} as a function of λ\lambda.

Explain why the variational method cannot be used in this case to derive an upper bound for the energy of the first excited state.