Abstract
Using Guseinov's translation formula for a complex Slater-type orbital (STO) and Steinborn's overlap integral between two Slaters on different centers, an analytic approach to electron-molecule interaction potentials has been developed. The theory presented is restricted to diatomic molecules although it is easily generalized to multiatom systems. A general computer code based on this formalism has been written and ē-H2 interaction potentials have been produced for the X1Σ+g state of H2 using two target representations: (1) McLean's five-state (open-shell form) configuration interaction function and (2) Fraga and Ransil's single-configuration (closed-shell form) function. The results are compared with a numerical procedure due to Faisal.
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