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Recent Advances in Multireference Methods (Recent Advances in Computational Chemistry)

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 | #7518212 in Books |  1999-05 | Original language:English | PDF # 1 |  8.75 x6.25 x.75l,.95 | File type: PDF | 214 pages

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Recently, accurate ab initio quantum computational chemistry has evolved dramatically. In particular, the development of multireference-based approaches has opened up a whole new area and has also had a profound impact on the potential of theoretical chemistry.The multiconfigurational SCF (MCSCF)/CASSCF method is an attempt to generalize the Hartree-Fock (HF) model and to treat real chemical processes, where nondynamic correlation is important, while keeping the conceptu...

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