We start with the variational principle. Given a hamiltonian H and a trial wave function ΨT(R;α), the variational principle states that the expectation value of E[H], defined through
E[H]=∫dRΨ∗T(R;α)H(R)ΨT(R;α)∫dRΨ∗T(R;α)ΨT(R;α),is an upper bound to the ground state energy E0 of the hamiltonian H, that is
E0≤E[H].