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"A revised MRCI-algorithm: I. Efficient
combination of spin adapatation with
individual configuration selection coupled
to an effective valence shell Hamiltonian" P. Strodel and P. TavanJ. Chem. Phys. 117: 4667-4676 (2002) no abstract available BMO authors (in alphabetic order): Paul Strodel Paul Tavan Assoziierte Projekte: OM2/MRCI: An efficient QM method to describe electronically excited states of dye molecules |