2. Theoretical Background

  1. Sándor Fliszár

Published Online: 30 APR 2008

DOI: 10.1002/9780470405918.ch2

Atomic Charges, Bond Properties, and Molecular Energies

Atomic Charges, Bond Properties, and Molecular Energies

How to Cite

Fliszár, S. (2008) Theoretical Background, in Atomic Charges, Bond Properties, and Molecular Energies, John Wiley & Sons, Inc., Hoboken, NJ, USA. doi: 10.1002/9780470405918.ch2

Publication History

  1. Published Online: 30 APR 2008
  2. Published Print: 14 NOV 2008

ISBN Information

Print ISBN: 9780470376225

Online ISBN: 9780470405918

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Keywords:

  • Hartree–Fock approximation;
  • Hartree–Fock–Roothaan orbitals;
  • configuration interaction calculation

Summary

This chapter contains sections titled:

  • The Hartree–Fock Approximation

  • Hartree–Fock–Roothaan Orbitals

  • Configuration Interaction Calculations