Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes

Journal of the American Chemical Society - Tập 126 Số 12 - Trang 4007-4016 - 2004
Andreas Dreuw1, Martin Head‐Gordon1
1Contribution from the Institut für Physikalische und Theoretische Chemie, Johann Wolfgang Goethe-Universität Frankfurt, Marie-Curie-Strasse 11, 60439 Frankfurt, Germany, and Department of Chemistry, University of California, Berkeley, and Chemical Science and Physical Bioscience Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720-1470

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