Long-range interactions for hydrogen molecular ions

Abstract

A general formalism for calculating long-range interaction energies between two ground-state atomic or molecular systems is presented. The static polarizabilities α 1 , α 2 , α 3 , and α 4 , as well as the dispersion coefficients C 6 , C 8 and C 10 are evaluated to high precision for the ground-state hydrogen molecular ions H + 2, D + 2, T + 2, HD + , HT + and DT + , using variational wavefunctions in Hylleraas coordinates.