Hamiltonian for Hydrogen molecular ion
(under Born-Oppenheimer approximation)
+ e-e+ e
protons are heavy and henceslow, so when we consider theelectron motion, R can hardlychange. So fix R first.
Question: how to guess/find a fairly good
Hamiltonian for electron motion
Ground stateenergy of H
(total energy here means total molecular potential energy: for an internuclear distance
R, the energy due to the electronic energy and
the energy due to proton-proton Coulombrepulsion energy).