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Applications of Posmom in Quantum Chemistry

Yves Alain, Bernard


The context of this Thesis is a new approach to the electron correlation problem based on two ideas. The first idea states that the correlation energy can be approximated simply by a linear operator which contains information about both the position, r, and the momentum, p, of an electron, i.e. a phase-space operator. The second idea proposes the use of two-electron operators, as the electron correlation occurs between pairs of electrons. The combination of these two ideas gave birth to...[Show more]

CollectionsOpen Access Theses
Date published: 2010
Type: Thesis (PhD)
DOI: 10.25911/5d7a2da6ecfc6


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