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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section02


153. A Program to Calculate Diatomic Overlap between Slater-Type Orbitals.

by Edward A. Boudreaux, Department of Chemistry, Lionel D. Dureau and L. C. Cusach, Department of Physics, Louisiana State University, Baton Rouge, Louisiana 70803

This program calculates two-center overlap integrals between all possible combinations of s, p, d, and f Slater-type orbitals, having all allowable values of principal quantum numbers, n=1, through 7. Overlaps between orbitals of the type 1p, 2d, and 3f are included.

FORTRAN IV Lines of Code: 558 Recommended Citation: E. A. Boudreaux et al., QCPE 11, 153 (1969).


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