Nonorthogonal configuration-interaction calculations of molecular states: The low-lying molecular states of ArHsup+ and two-electron charge exchange in Ar-H⁺ collisions

Authors

Gordon A. Gallup, University of Nebraska-LincolnFollow

Date of this Version

1-1-1987

Comments

Published by American Physical Society. Phys. Rev. A 35, 1 (1987). http://pra.aps.org. Copyright © 1987 American Physical Society. Permission to use.

Abstract

A nonorthogonal configuration-interaction procedure has been used to calculate adiabatic energy curves of ArH⁺. The basis functions are a mixture of typical molecular-orbital configurations and typical valence-bond (Heitler-London) configurations. This gives an economical description of the wave functions, allowing an easy tracing of various diabatic states through the adiabatic states and a clear identification of the asymptotic states. The results are used to rationalize the unexpectedly large production of Ar²⁺+H^- from collisions of H⁺ with Ar.