Dipole transitions in the bound rotational-vibrational spectrum of the heteronuclear molecular ion HD+

Abstract

The nonrelativistic three-body Schrödinger equation of the heteronuclear molecular ion HD+ is solved in perimetric coordinates using the Lagrange-mesh method. Energies and wave functions of the four lowest vibrational bound or quasibound states v=0-3 are calculated for total orbital momenta from 0 to 47. Energies are given with an accuracy from about 12 digits for the lowest vibrational level to at least nine digits for the third vibrational excited level. With a simple calculation using the corresponding wave functions, accurate dipole transition probabilities per time unit between those levels are given over the whole v=0-3 rotational bands. Results are presented with six significant figures. © 2013 American Physical Society.