Error bounds for the nonrelativistic electronic ground state energy of molecular hydrogen |
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| Authors: | Andreas Müller Heinz Kleindienst |
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| Affiliation: | (1) Institut für Physikalische Chemie und Elektrochemie I, Heinrich-Heine-Universität Düsseldorf, Universitätsstr. 1, 40225 Düsseldorf, Germany |
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| Abstract: | Upper and lower bounds are calculated for the nonrelativistic electronic ground state energy of the1 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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