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QCPE

THIS INFORMATION IS OBSOLETE AND IS PROVIDED ONLY FOR ITS HISTORICAL VALUE

QCPE
Main / Catalog / Section02


170. LIGAND: Field Integrals Using SCF Wave Functions

by D. J. Williams, University of Bradford, Bradford, England

Calculation of radial electrostatic integrals of the type given by Ballhausen and Ancom (Kgl. Danske Videnskab Seldkad, Mat-Fys. Medd., 31, 9 (1958)) for Slater wavefunctions but using Nesbet-Watson SCF wavefunctions.

FORTRAN IV Lines of Code: 277 Recommended Citation: D. J. Williams, QCPE 11, 170 (1970).


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