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Calculation of vertical ionization potentials of H2O and Ne by many-body Rayleigh-Schrödinger perturbation theory

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Abstract

The vertical ionization potentials of H2O and Ne are calculated by many-body Rayleigh-Schrödinger perturbation theory up to third order. The comparison of the present method with the other approaches is done.

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Authors and Affiliations

  1. Department of Mathematics, Chemical Faculty, Slovak Technical University, Jánska 1, 88037, Bratislava, Czechoslovakia

    Ivan Hubač

  2. Department of Physical Chemistry, The Comenius University, Mlynská Dolina, 81631, Bratislava, Czechoslovakia

    Miroslav Urban

Authors
  1. Ivan Hubač
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  2. Miroslav Urban
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Additional information

This paper is dedicated to the memory of our friends and colleagues Dr. Jarka Surá and Dr. Marta Černayová who died in a plane crash on the 28th of July 1976 in Bratislava.

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Hubač, I., Urban, M. Calculation of vertical ionization potentials of H2O and Ne by many-body Rayleigh-Schrödinger perturbation theory. Theoret. Chim. Acta 45, 185–195 (1977). https://doi.org/10.1007/BF02401399

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  • DOI: https://doi.org/10.1007/BF02401399

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