Multicenter molecular integrals for Slater orbitals of higher principal quantum numbers

1 December 1989

journal article
research article
Published by American Physical Society (APS) in Physical Review A

Vol. 40 (11) , 6681-6684
https://doi.org/10.1103/physreva.40.6681

Abstract

It is shown that for a given angular orbital configuration, the expression for multicenter molecular integrals of higher principal quantum number Slater orbitals can be generalized in a systematic approach.

Keywords

SLATER ORBITALS
MOLECULAR INTEGRALS
ANGULAR
CONFIGURATION
INTEGRALS FOR SLATER
ORBITALS OF HIGHER
MULTICENTER MOLECULAR
QUANTUM

This publication has 3 references indexed in Scilit:

On the evaluation of molecular multicentre integrals for Slater-type orbitals
Journal of Physics B: Atomic and Molecular Physics, 1979
Roothaan-Hartree-Fock atomic wavefunctions
Atomic Data and Nuclear Data Tables, 1974
Gaussian-Transform Method for Molecular Integrals. I. Formulation for Energy Integrals
The Journal of Chemical Physics, 1965