Potential energy curves of H and H− interactions with He

Abstract

Abstract Potential energy curves of H and H − interactions with He have been computed using a quadratic configuration interaction method and universal even-tempered basis sets. The effects of bond function augmentation are considered. Crossing radius and total cross section were calculated to be 2.527 a 0 and ∼ 5.6 × 10 −16 cm 2 in closer agreement with the experimental determination of 1.997 a 0 –2.387 a 0 and ∼ 3.5–5.0 × 10 −16 cm 2 than the previously reported ab initio estimates. Bond function augmentation enhances the agreement with experiment as far as crossing radius and total electron detachment cross sections are concerned. Potential curves were fitted to analytical potentials to decompose the threshold energy at the crossing radius into its major components.