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Molecular Physics
An International Journal at the Interface Between Chemistry and Physics
Volume 108, 2010 - Issue 19-20: Proceedings of Molecular Quantum Mechanics 2010: An International Conference in Honour of Professor Henry F. Schaefer III
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Invited Articles

A parallel implementation of the analytic nuclear gradient for time-dependent density functional theory within the Tamm–Dancoff approximation

Fenglai Liu College of Chemistry, Beijing Normal University, Beijing 100875, China; Center for Computational Research, State University of New York at Buffalo, Buffalo, NY 14260, USA
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Zhengting Gan Q-Chem Inc, 5001 Baum Blvd, Suite 690, Pittsburgh, PA 15213, USA
,
Yihan Shao Q-Chem Inc, 5001 Baum Blvd, Suite 690, Pittsburgh, PA 15213, USA; Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health, Bethesda, MD 20892, USACorrespondence[email protected]
,
Chao-Ping Hsu Institute of Chemistry, Academia Sinica, 128 Section 2 Academia Road, Nankang, Taipei 115, Taiwan
,
Andreas Dreuw Institut für Physikalische und Theoretische Chemie, Johann Wolfgang Goethe-Universität, 60439 Frankfurt am Main, Germany
,
Martin Head-Gordon Department of Chemistry, University of California and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, CA 94720, USA
,
Benjamin T. Miller Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health, Bethesda, MD 20892, USA
,
Bernard R. Brooks Laboratory of Computational Biology, National Heart Lung and Blood Institute, National Institutes of Health, Bethesda, MD 20892, USA
,
Jian-Guo Yu College of Chemistry, Beijing Normal University, Beijing 100875, China
,
Thomas R. Furlani Center for Computational Research, State University of New York at Buffalo, Buffalo, NY 14260, USA
&
Jing Kong Q-Chem Inc, 5001 Baum Blvd, Suite 690, Pittsburgh, PA 15213, USA; Center for Computational Research, State University of New York at Buffalo, Buffalo, NY 14260, USACorrespondence[email protected]
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Pages 2791-2800 | Received 20 Aug 2010, Accepted 20 Sep 2010, Published online: 05 Nov 2010

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Justin J. Talbot, Martin Head-Gordon & Stephen J. Cotton. (2023) The symmetric quasi-classical model using on-the-fly time-dependent density functional theory within the Tamm–Dancoff approximation. Molecular Physics 121:7-8.
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