|
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). |