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Symmetry-Adapted Cluster- Configuration excited states

Nakatsuji H, Hasegawa J, Hada M (1996) Excited and ionized states of free base porphin studied by the symmetry adapted cluster-configuration interaction (SAC-CI) method. J Chem Phys 104 2321-2329. [Pg.92]

Theoretical studies have played important roles in clarifying the excited states, in particular, of high-symmetry systems. The excited-state calculations with the configuration interaction based on the symmetry-adapted cluster expansion (SAC-CI) method [1, 2] have given reasonable and reliable assignments for experimental absorption spectra [3]. The SAC-CI method is a linear-response theory using the... [Pg.363]

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Cluster configuration

Cluster excitation

Cluster symmetry

Configurational symmetry

Excited configuration

Excited-state configuration

State symmetries

Symmetry adaptation

Symmetry configurations

Symmetry-adapted

Symmetry-adapted configurations

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