Failure of Time-Dependent Density Functional Theory for Long-Range Charge-Transfer Excited States: The Zincbacteriochlorin−Bacteriochlorin and Bacteriochlorophyll−Spheroidene Complexes-Reference-Cited by-同舟云学术

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

Published:2004-03-01 Issue:12 Volume:126 Page:4007-4016
ISSN:0002-7863
Container-title:Journal of the American Chemical Society
language:en
Short-container-title:J. Am. Chem. Soc.

Author:

Dreuw Andreas¹,Head-Gordon Martin¹

Affiliation:

1. Contribution 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

Publisher

American Chemical Society (ACS)

Subject

Colloid and Surface Chemistry,Biochemistry,General Chemistry,Catalysis

Link

https://pubs.acs.org/doi/pdf/10.1021/ja039556n

Reference52 articles.

1. Density functional theory calculations of the visible spectrum of chlorophyll a

2. Circular Dichroism of Helicenes Investigated by Time-Dependent Density Functional Theory

3. Characterization of the Relevant Excited States in the Photodissociation of CO-Ligated Hemoglobin and Myoglobin

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