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"An efficient approach to CI: General matrix element formulas for spin-coupled particle-hole excitations" P. Tavan, K. SchultenJ. Chem. Phys. 72: 3547-3576, 1980 no abstract available BMO authors (in alphabetic order): Paul Tavan Assoziierte Projekte: OM2/MRCI: An efficient QM method to describe electronically excited states of dye molecules |