Accurate Computation of Nonadiabatic Coupling with Projector Augmented-Wave Pseudopotentials.

Chu, Weibin; Zheng, Qijing; Akimov, Alexey V; Zhao, Jin; Saidi, Wissam A; Prezhdo, Oleg V

Chu, Weibin; Zheng, Qijing; Akimov, Alexey V; Zhao, Jin; Saidi, Wissam A; Prezhdo, Oleg V.

Afiliação

Chu W; Department of Chemistry and Department of Physics and Astronomy, University of Southern California, Los Angeles, California 90089, United States.
Zheng Q; Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Akimov AV; Department of Chemistry, University at Buffalo, The State University of New York, Buffalo, New York 14260, United States.
Zhao J; Department of Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Saidi WA; ICQD/Hefei National Laboratory for Physical Sciences at the Microscale, CAS Key Laboratory of Strongly Coupled Quantum Matter Physics, and Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China, Hefei, Anhui 230026, China.
Prezhdo OV; Department of Physics and Astronomy, University of Pittsburgh, Pittsburgh Pennsylvania 15260, United States.

J Phys Chem Lett ; 11(23): 10073-10080, 2020 Dec 03.

Article em En | MEDLINE | ID: mdl-33179939

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Phys Chem Lett Ano de publicação: 2020 Tipo de documento: Article País de afiliação: Estados Unidos País de publicação: Estados Unidos

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