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Goddards Generalized VB

Goddard[21] made the earliest important generalization to the Coulson-Fisher method. Goddard s generalized VB (GGVB) wave function is written in terms of orbitals that are linear combinations of the AOs. Using the genealogical set of spin functions in turn and [Pg.15]

In simple cases the Gl is a HLSP function while the Gf wave function is a standard tableaux function, which we describe below in Sect. 3.3. For Gf wave functions one may show that the above orthogonality requirement is not a real constraint on the energy. On the other hand, no such invariance occurs with Gl or HLSP functions, so the orthogonality constraint has a real impact on the calculated energy in this case and with all other Gi wave functions. [Pg.16]

Goddard and his coworkers applied the method to a number of chemical problems with an emphasis on orbital following results. [Pg.16]




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