Direct diabatization of electronic states by the fourfold-way: Including dynamical correlation by multi-configuration quasidegenerate perturbation theory with complete active space self-consistent-field diabatic molecular orbitals
2013 ◽
Vol 573
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pp. 84-89
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1990 ◽
Vol 147
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pp. 293-307
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1995 ◽
Vol 102
(12)
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pp. 4909-4918
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1992 ◽
Vol 96
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pp. 1218-1226
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1993 ◽
Vol 210
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pp. 193-200
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