Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation

标题
Direct Nonadiabatic Dynamics by Mixed Quantum-Classical Formalism Connected with Ensemble Density Functional Theory Method: Application to trans-Penta-2,4-dieniminium Cation
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 14, Issue 9, Pages 4499-4512
出版商
American Chemical Society (ACS)
发表日期
2018-07-28
DOI
10.1021/acs.jctc.8b00217

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