Acta Physica Academiae Scientiarum Hungaricae

, Volume 50, Issue 1, pp 125–129 | Cite as

Accuracy of transition states of many-electron systems on the basis of a quantum-statisticalab initio theory

  • S. Olszewski
Atomic and Molecular Physics
Received:
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Abstract

TheThomas-Fermi-Dirac (TFD) and theThomas-Fermi-Dirac-Gombás (TFDG) models of many-electron systems have been applied to compare the accuracy ofSlater’s transition state with that of the generalized transition state ofWilliams, de Groot andSommers (WdGS). For three noble gas atoms taken as examples the error ofSlater’s ionization energy is about 3–4 per cent of the exact TFD, or TFDG, ionization energy, whereas the same error of the WdGS ionization energy is only a small fraction of one per cent.

Keywords

Transition State Ionization Energy Occupation Number Ectron Atomie Symbol 
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Copyright information

© with the authors 1981

Authors and Affiliations

  • S. Olszewski
    • 1
  1. 1.Institute of Physical Chemistry of the Polish Academy of SciencesWarsawPoland

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