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Error bounds for the nonrelativistic electronic ground state energy of molecular hydrogen

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Abstract

Upper and lower bounds are calculated for the nonrelativistic electronic ground state energy of the1Σ +g state of molecular hydrogen using the method of variance minimization with Hylleraas-CI functions. In order to solve the occurring new integrals centered interparticle coordinates were introduced.

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Authors and Affiliations

  1. Institut für Physikalische Chemie und Elektrochemie I, Heinrich-Heine-Universität Düsseldorf, Universitätsstr. 1, 40225, Düsseldorf, Germany

    Andreas Müller & Heinz Kleindienst

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  1. Andreas Müller
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  2. Heinz Kleindienst
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Müller, A., Kleindienst, H. Error bounds for the nonrelativistic electronic ground state energy of molecular hydrogen. J Math Chem 17, 139–166 (1995). https://doi.org/10.1007/BF01164845

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  • DOI: https://doi.org/10.1007/BF01164845

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