Past exam of the quantum mechanics quantum theory and quantum computers course of the University of Oxford / 2009 / B / 5 / Solution

For a nonzero trial vector use the Rayleigh quotient $\mathcal{E}(\psi )=⟨\psi ,H\psi ⟩/⟨\psi ,\psi ⟩$. Its first variation in any allowed direction $\eta$ isVanishing for all complex directions implies $(H-\mathcal{E})\psi =0$; an eigenvector conversely makes it vanish. The ground energy is the infimum of this quotient for a lower-bounded Hamiltonian, so minimizing over a trial family provides an upper bound to it, exact when that family contains a ground eigenvector.

Set $a=⟨\varphi ,H\varphi ⟩$, $b=⟨\varphi ,I\varphi ⟩$ and $c=⟨\varphi ,HI\varphi ⟩$. All three are real: $H,I$ are self-adjoint and commute. Also $I^{†}I=I^2=1$. Expansion of the numerator and norm givesDifferentiate the quotient, retaining only nonzero trial vectors:Thus the stationarity equation is $\boxed{(t^2-1)(c-ab)=0}$. If $c=ab$, the quotient is identically $a$ wherever defined. Otherwise $t=\pm 1$ are the two extrema, withIn this nonconstant case $|b|<1$, so both denominators are positive. If $c-ab>0$, the plus value is the maximum and the minus value the minimum; the assignments reverse when $c-ab<0$. One can also see global extremality by resolving the trial vector into the orthogonal $I=\pm 1$ sectors: its energy is a weighted mean of their two fixed projected energies.

The null-vector exception matters. If $|b|=1$, then $I\varphi =\pm \varphi$, the covariance $c-ab$ vanishes and one of $\varphi \pm I\varphi$ is zero. That value has no Rayleigh quotient and is not an extra stationary physical state.

For particle exchange, change of integration variables shows that $I\varphi (x_1,x_2)=\varphi (x_2,x_1)$ is unitary and $I^2=1$, hence self-adjoint. Exchanging coordinates interchanges the two kinetic derivatives and leaves the symmetric potential unchanged, so $[I,H]=0$. The vectors $\varphi \pm I\varphi$ lie in its symmetric and antisymmetric sectors. Their normalized nonzero versions are respectively bosonic and fermionic spatial trial wavefunctions.

Because the energy of a general trial state is the weighted average of its sector energies, at least one nonzero symmetry projection has energy no greater than the original trial. Thus minimizing can be performed in a definite exchange-symmetry sector. This is a variational approximation within the trial subspace; it does not assert that projecting an arbitrary trial vector produces an exact eigenvector of $H$. For particles with a prescribed statistics sector one minimizes within that physical sector.