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Orbit‐Orbit Molecular Integrals over Gaussian Orbitals

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Publication Date

1975-11-01

Authors

Avondale Authors

Publisher

DOI

https://doi.org/10.1002/qua.560090612

Original

Rights

Due to copyright restrictions this article is unavailable for download.

Version

Published Version

Review Status

Peer Reviewed

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

Source Title

International Journal of Quantum Chemistry

Series

International Standard Serial Number

0020-7608

International Standard Book Number

Collections

Science & Mathematics

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