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Autor:
Johnson, Paul A., Moisset, Jean-David, Gratton, Marianne, Baril, Émile, Plourde, Marc-Antoine, Lefebvre, Mathis, Kerleaux, Marianne, Ayers, Paul W., Cassam-Chenaï, Patrick, De Baerdemacker, Stijn, Van Neck, Dimitri
Wavefunction forms based on products of electron pairs are usually constructed as closed-shell singlets, which is insufficient when the molecular state has a nonzero spin or when the chemistry is determined by $d$- or $f-$electrons. A set of two-elec
Externí odkaz:
http://arxiv.org/abs/2410.01761
We present an overview of the mathematical structure of geminal theory within the seniority formalism and bi-variational principle. Named after the constellation, geminal wavefunctions provide the mean-field like representation of paired-electron wav
Externí odkaz:
http://arxiv.org/abs/2408.06842
Autor:
Johnson, Paul A., Ayers, Paul W., De Baerdemacker, Stijn, Limacher, Peter A., Van Neck, Dimitri
We develop a bivariational principle for an antisymmetric product of nonorthogonal geminals. Special cases reduce to the antisymmetric product of strongly-orthogonal geminals (APSG), the generalized valence bond-perfect pairing (GVB-PP), and the anti
Externí odkaz:
http://arxiv.org/abs/2203.02624
Publikováno v:
Management Decision, 2023, Vol. 61, Issue 9, pp. 2541-2563.
Externí odkaz:
http://www.emeraldinsight.com/doi/10.1108/MD-05-2022-0735
Publikováno v:
In Journal of Experimental Social Psychology September 2023 108