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"A revised MRCI-algorithm coupled to an effective
valence-shell Hamiltonian: II. Application to
the valence excitations of butadiene
" P. Strodel, P. TavanJ. Chem. Phys. 117: 4677-4683 (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 |