Fully Relativistic Effective Core Potentials (FRECP)

  • Yasuyuki Ishikawa
  • G. L. Malli
Part of the NATO Advanced Science Institutes Series book series (NSSB, volume 87)


A method is developed for obtaining fully relativistic effective core potentials from numerical Dirac-Fock self-consistent-field calculations. Analytical forms for the effective core potentials are derived for Ca and T1, and the results of valence-only Dirac-Fock calculations are presented.


Valence Electron Effective Potential Small Component Core Spin Relativistic Effective Core Potential 
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Copyright information

© Plenum Press, New York 1983

Authors and Affiliations

  • Yasuyuki Ishikawa
    • 1
  • G. L. Malli
    • 1
    • 2
  1. 1.Department of ChemistrySimon Fraser UniversityBurnabyCanada
  2. 2.Department of Chemistry and Theoretical Sciences InstituteSimon Fraser UniversityBurnabyCanada

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