A Note About the Ground State of the Hydrogen Molecule

descriptionPublicationkeyboard_double_arrow_right Article , Preprint 01 Jan 2007Embargo end date: 01 Jun 2006 English Publisher:Institute of Organic Chemistry & BiochemistryJournal:Collection of Czechoslovak Chemical Communications, volume 72, pages 164-170 (issn: 0010-0765, eissn: 1212-6950,

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Authors: Turbiner, A. V.; Guevara, N. L.;

doi: 10.1135/cccc20070164 , 10.48550/arxiv.physics/0606120

arXiv: physics/0606120

A Note About the Ground State of the Hydrogen Molecule

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Abstract

A trial function is presented for the H2 molecule which provides the most accurate (the lowest) Bohr-Oppenheimer ground state energy among few-parametric trial functions (with ≤14 parameters). It includes the electronic correlation term in the form ~ exp (γr12) where γ is a variational parameter.

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Atomic Physics (physics.atom-ph), FOS: Physical sciences, Physics - Atomic and Molecular Clusters, Atomic and Molecular Clusters (physics.atm-clus), Physics - Atomic Physics

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