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Slater geminal methods

The centrality of the FNA has spawned considerable research into improvement of the approach. The strategies for obtaining better nodes are numerous. Canonical HF orbitals, Kohn-Sham orbitals from density functional theory (DFT), and natural orbitals from post-HF methods have been used. The latter do not necessarily yield better nodes than single configuration wave functions [39-41]. More success has been found with alternative wave function forms that include correlation more directly than sums of Slater determinants. These include antisymmetrized geminal power functions [42,43], valence-bond [44,45] and Pfaffian [46] forms as well as... [Pg.261]

The ionization potentials and electron affinities of the atoms H, C, N, O and F have been computed by means of coupled-cluster methods using doubly augmented correlation-consistent one-electron basis sets in conjunction with explicitly correlated Slater-type geminals. Excitations up to the level of connected quintuples have been accounted for, and all orbitals in the core and valence shells have been correlated. Relativistic effects (spin-orbit as well as scalar) and diagonal Born-Oppenheimer corrections have been included. [Pg.79]


See other pages where Slater geminal methods is mentioned: [Pg.322]    [Pg.322]    [Pg.134]    [Pg.79]    [Pg.545]   
See also in sourсe #XX -- [ Pg.2 , Pg.28 , Pg.30 ]

See also in sourсe #XX -- [ Pg.28 , Pg.30 ]

See also in sourсe #XX -- [ Pg.2 , Pg.28 , Pg.30 ]




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