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Generalized Sturmians Nonorthogonality

In the preceding discussion, the creation and annihilation operators always referred to a set of orthonormal spin-orbitals. We can ask how much of the formalism holds in cases where complete orthonormality can no longer be assumed, for example, in valence-bond calculations or in the generalized Sturmian method. [Pg.200]

The generalized Sturmian method for solving the iV-electron Schrodinger equation [11 -20] is a direct configuration interaction method, using basis functions which are antisymmetrized isoenergetic solutions of the approximate iV-electron equation [Pg.201]

In equation (87), Vo is as near as possible to the actual potential V, and the weighting-constants /3 are chosen in such a way as to make all of the solutions correspond to the same energy, regardless of the quantum numbers. [Pg.201]

In atomic calculations, equation (87) can be solved exactly if V0 is set equal to the nuclear attraction potential [Pg.201]

Then (as is shown in Ref. [20]) the first generalized Slater-Condon rule can be [Pg.202]


See other pages where Generalized Sturmians Nonorthogonality is mentioned: [Pg.185]    [Pg.200]    [Pg.185]    [Pg.200]   


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