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A size-consistent approach to strongly correlated...
Journal article

A size-consistent approach to strongly correlated systems using a generalized antisymmetrized product of nonorthogonal geminals

Abstract

Inspired by the wavefunction forms of exactly solvable algebraic Hamiltonians, we present several wavefunction ansatze. These wavefunction forms are exact for two-electron systems; they are size consistent; they include the (generalized) antisymmetrized geminal power, the antisymmetrized product of strongly orthogonal geminals, and a Slater determinant wavefunctions as special cases. The number of parameters in these wavefunctions grows only …

Authors

Johnson PA; Ayers PW; Limacher PA; De Baerdemacker S; Van Neck D; Bultinck P

Journal

Computational and Theoretical Chemistry, Vol. 1003, , pp. 101–113

Publisher

Elsevier

Publication Date

January 2013

DOI

10.1016/j.comptc.2012.09.030

ISSN

2210-271X