Orbit‐Orbit Molecular Integrals over Gaussian Orbitals
Publication Date
1975-11-01
Authors
Avondale Affiliates
Publisher
Original
Rights
Due to copyright restrictions this article is unavailable for download.
Peer Review Status
Published Version
Review Status
Yes
Field of Education
Field of Research
Degree
Department
Faculty
Supervisor
Awarding Institution
Degree
Department
Faculty
Supervisor
Awarding Institution
Abstract
Analytical formulas are derived for integrals of the orbit‐orbit operator in the Breit‐Pauli Hamiltonian. The present method differs from an earlier one in the introduction of a new auxiliary function Gn(a) which is an integral of Shavitt's Fm(t) function. A method for its evaluation is discussed and some numerical examples are given. Copyright © 1975 John Wiley & Sons, Inc.
Description
Research Statement
Keywords
integrals, orbitals, chemistry
Citation
Lo, B. W. N. (1975). Orbit‐orbit molecular integrals over Gaussian orbitals. International Journal of Quantum Chemistry, 9(6), 1055-1067. https://doi.org/10.1002/qua.560090612
International Standard Serial Number
0020-7608