Analytical Correlation Rules between States in the United Atom and Separated Atom Limits for Diatomic Screened Orbitais

摘要

The analytic correlation rule of Gershtein and Krivchenkov between states in the united atom and separated atom limits for one-electron diatomic molecule is extended to diatomic molecules with more than one electron for diabatic screened molecular orbitais, which are solutions of the Hartree-like Schrodinger equation that is separable in prolate spheroidal coordinates. The rule is interpreted with the WKB method.