The Evaluation of Molecular Integrals for Slater-Type Orbitals

  1. I. Prigogine
  1. Frank E. Harris1 and
  2. H. H. Michels2

Published Online: 14 MAR 2007

DOI: 10.1002/9780470140154.ch8

Advances in Chemical Physics, Volume 13

Advances in Chemical Physics, Volume 13

How to Cite

Harris, F. E. and Michels, H. H. (2007) The Evaluation of Molecular Integrals for Slater-Type Orbitals, in Advances in Chemical Physics, Volume 13 (ed I. Prigogine), John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470140154.ch8

Editor Information

  1. University of Brussels, Brussels, Belgium

Author Information

  1. 1

    Department of Chemistry, Stanford University, Stanford, California

  2. 2

    Research Laboratories, United Aircraft Corporation, East Hartford, Connecticut

Publication History

  1. Published Online: 14 MAR 2007
  2. Published Print: 1 JAN 1967

ISBN Information

Print ISBN: 9780470699188

Online ISBN: 9780470140154

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Keywords:

  • nuclear attraction integrals;
  • electron repulsion integrals;
  • kinetic energy integrals;
  • expansion formulae;
  • rotational coordinate transformations

Summary

This chapter contains sections titled:

  • Introduction

  • General Considerations

  • One-electron, Two-center Integrals

  • Three-center Nuclear Attraction Integrals

  • Electron Repulsion Integrals

  • Computational Details and Results