A variational perturbation treatment of the hydrogen molecular ion using the green function method on the united atom

✍ Scribed by Felicia A. Corsaro; Françoise R. Solenberger; Hendrik F. Hameka

• Publisher: John Wiley and Sons
• Year: 1974
• Tongue: English
• Weight: 578 KB
• Volume: 8
• Category: Article
• ISSN: 0020-7608
• DOI: 10.1002/qua.560080302

✦ Synopsis

Abstract

We calculated the second‐order perturbed energy and the first‐order perturbed wave function of the hydrogen molecular ion by the Green function method based on a united atom with effective nuclear charge, Z. Since the perturbation is given by (Z/r) — (1/r~A~) — (1/r~B~), its magnitude depends on the parameter Z. We obtain an analytical expression for the second‐order perturbed energy as a function of Z and the internuclear distance R. We discuss a variety of methods to determine the best values for Z and to derive the potential energy curve and the force constant for H; these methods vary in the accuracy of their results.