Functional and Basis Set Dependence for Time‐Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis ‐Azobenzene Photoisomerization-Reference-Cited by-同舟云学术

Functional and Basis Set Dependence for Time‐Dependent Density Functional Theory Trajectory Surface Hopping Molecular Dynamics: Cis ‐Azobenzene Photoisomerization

Published:2019-11-19 Issue:7 Volume:41 Page:635-645
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Ye Linfeng¹,Xu Chao¹,Gu Feng Long¹^ORCID,Zhu Chaoyuan¹²³^ORCID

Affiliation:

1. Key Laboratory of Theoretical Chemistry of Environment, Ministry of Education, School of Chemistry and Environment of South China Normal University Guangzhou 51006 People's Republic of China

2. Institute of Molecular Science and Department of Applied ChemistryNational Chiao Tung University Hsinchu 30010 Taiwan

3. Key Center for Emergent Functional Matter Science, National Chiao Tung University Hsinchu 30010 Taiwan

Funder

Ministry of Science and Technology, Taiwan

National Natural Science Foundation of China

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26116

Reference67 articles.