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NON-VARIATIONAL METHODS WITH SLATER DETERMINANTS

NON-VARIATIONAL METHODS WITH SLATER DETERMINANTS (A4(g)) Coupled Cluster (CC) Method (40)... [Pg.579]

Slater determinants are usually constructed from molecular spinorbitals. If, instead, we use atomic spinorbitals and the Ritz variational method (Slater determinants as the expansion functions), we would get the most general formulation of the valence bond (VB) method. The beginning of VB theory goes back to papers by Heisenbeig, the first application was made by Heitler and London, and later theory was generalized by Hurley, Lennard-Jones, and Pople. The essence of the VB method can be explained by an example. Let us take the hydrogen molecule with atomic spinorbitals of type liaO and Vst (abbreviated as aa and b ) centered at two nuclei. Let us construct from them several (non-normalized) Slater determinants, for instance ... [Pg.610]

See other pages where NON-VARIATIONAL METHODS WITH SLATER DETERMINANTS is mentioned: [Pg.629]    [Pg.500]    [Pg.539]    [Pg.562]    [Pg.629]    [Pg.629]    [Pg.500]    [Pg.539]    [Pg.562]    [Pg.629]    [Pg.460]    [Pg.383]    [Pg.325]    [Pg.504]    [Pg.692]    [Pg.207]   


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