Generalized valence bond

The method was developed by the group of William A. Goddard, III around 1970.

[1][2] The generalized Coulson–Fischer theory for the hydrogen molecule, discussed in Modern valence bond theory, is used to describe every electron pair in a molecule.

The orbitals for each electron pair are expanded in terms of the full basis set and are non-orthogonal.

GVB code in some programs, particularly GAMESS (US), can also be used to do a variety of restricted open-shell Hartree–Fock calculations,[3] such as those with one or three electrons in two pi-electron molecular orbitals while retaining the degeneracy of the orbitals.

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