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- W1640268567 abstract "We outline the CASVB strategy, which may be used either to generate very compact modern valence bond representations of CASSCF wave functions or to optimize general types of modern VB wave function. Various aspects of the methodology are illustrated by means of applications to the ground state of benzene, to the X4 Δ and a6 Δ state of FeH, and to the two lowest 1Ag states of various model polyene systems." @default.
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- W1640268567 date "1998-01-01" @default.
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- W1640268567 title "Modern VB representations of CASSCF wave functions and the fully-variational optimization of modern VB wave functions using the CASVB strategy" @default.
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- W1640268567 doi "https://doi.org/10.1016/s0065-3276(08)60406-2" @default.
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