Compact two-electron wave function for bond dissociation and Van der Waals interactions: A natural amplitude assessment

K.J.H. Giesbertz, R. Van Leeuwen

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Abstract

Electron correlations in molecules can be divided in short range dynamical correlations, long range Van der Waals type interactions, and near degeneracy static correlations. In this work, we analyze for a one-dimensional model of a two-electron system how these three types of correlations can be incorporated in a simple wave function of restricted functional form consisting of an orbital product multiplied by a single correlation function f(r
Original languageEnglish
Article number184108
JournalJournal of Chemical Physics
Volume140
Issue number18
DOIs
Publication statusPublished - 2014

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