Variational calculations of the H2+ and HD+ rovibrational energies

Abstract

We use the exponential explicitly correlated variational basis set of the type exp(-αnR - βnr1 - γnr2) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion H2+ and HD+. We perform calculations for the states of the total angular momentum L=0-4 with the complete set of vibrational numbers v=0-10.We use the exponential explicitly correlated variational basis set of the type exp(-αnR - βnr1 - γnr2) to calculate systematically the nonrelativistic bound-state energies for the hydrogen molecular ion H2+ and HD+. We perform calculations for the states of the total angular momentum L=0-4 with the complete set of vibrational numbers v=0-10.