Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation-Reference-Cited by-同舟云学术

Analytic energy gradient of excited electronic state within TDDFT/MMpol framework: Benchmark tests and parallel implementation

Published:2015-10-07 Issue:13 Volume:143 Page:134104
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Zeng Qiao¹^ORCID,Liang WanZhen¹

Affiliation:

1. State Key Laboratory of Physical Chemistry of Solid Surfaces, Collaborative Innovation Center of Chemistry for Energy Materials, and Department of Chemistry, College of Chemistry and Chemical Engineering, Xiamen University, Xiamen 361005, China

Funder

National Natural Science Foundation of China (NSFC)

Ministry of Science and Technology of the People's Republic of China (MOST)

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Reference93 articles.

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4. Adiabatic time-dependent density functional methods for excited state properties

5. Erratum: “Time-dependent density functional methods for excited state properties” [J. Chem. Phys. 117, 7433 (2002)]

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