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- W2037319876 abstract "A computational program has been coded for the equations-of-motion (EOM) method dealing with large-scale eigenvalue problems for the electronic transitions of molecules. It is designed to give solutions for the lowest excited states. Roos' procedure (Chem. Phys. Lett., 15 (1972) 153) of direct CI-calculations from molecular integrals has been employed. The program has been applied to the study of low-lying excited states of benzene at the ab initio (1p-1h) + (2p-2h) EOM level." @default.
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- W2037319876 date "1994-07-01" @default.
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- W2037319876 title "Large-scale equations-of-motion (EOM) calculation: Application to low-lying excited states of benzene" @default.
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- W2037319876 doi "https://doi.org/10.1016/s0022-2860(10)80054-7" @default.
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