The Oscillator Strengths of H2+, 1s\sigma_{g}-2p\sigma_{u}, 1s\sigma_{g}-2p\pi_{u}

TL;DR

This paper calculates highly accurate oscillator strengths for specific electronic transitions in the H2+ molecular ion across a range of internuclear distances using a variational method within the Born-Oppenheimer approximation.

Contribution

It provides the first highly precise oscillator strengths for these transitions in H2+ over a wide range of internuclear distances, using a variational approach with randomly chosen exponents.

Findings

Oscillator strengths are accurate up to ten significant digits.

Results cover internuclear distances from 0.10 to 20.0 atomic units.

Provides data useful for spectroscopic and quantum mechanical studies.

Abstract

The oscillator strengths of the $H^+_2$ molecular ion, $1s\sigma_{g}-2p\sigma_{u}$, $1s\sigma_{g}-2p\pi_{u}$ are calculated within the Born-Oppenheimer approximation. The variational expansion with randomly chosen exponents has been used for numerical studies. The oscillator strengths obtained for the transitions $1s\sigma_{g}-2p\sigma_{u}$, $1s\sigma_{g}-2p\pi_{u}$ of $H^+_2$ are accurate up to ten significant digits. Results are given for the internuclear distances between 0.10 and 20.0 a.u.