A Comparison of the Electronic Transition Energies for Ethene, Isobutene, Formaldehyde, and Acetone Calculated Using RPA, TDDFT, and EOM-CCSD. Effect of Basis Sets

American Chemical Society (ACS) - Tập 106 Số 16 - Trang 4192-4199 - 2002
Kenneth B. Wiberg1, Anselmo E. de Oliveira1, Gary W. Trucks1
1Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107 and Gaussian Inc, 140 Washington Avenue, North Haven, Connecticut 06473

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