Energies and properties of the H2+ isotopologues using fully nonadiabatic wavefunctions

We have optimised fully nonadiabatic trial wavefunctions for the lowest several vibrational states of H2+, HD+, HT+, D2+, DT+ and T2+ using variational Monte Carlo methods. With these wavefunctions we then computed the nonrelativistic energy, the lowest-order relativistic corrections and a variety of geometrical properties for each isotopologue.