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Calculation of vertical ionization potentials of H2O and Ne by many-body Rayleigh-Schrödinger perturbation theory |
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| Authors: | Ivan Hubač Miroslav Urban |
| Institution: | (1) Department of Mathematics, Chemical Faculty, Slovak Technical University, Jánska 1, 88037 Bratislava, Czechoslovakia;(2) Department of Physical Chemistry, The Comenius University, Mlynská Dolina, 81631 Bratislava, Czechoslovakia |
| 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. |
| Keywords: | Ionization potentials Many-body perturbation theory |
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