Examining the Effect of Exchange-Correlation Approximations in First-Principles Dynamics Simulation of Interfacial Charge Transfer
- 期刊名称Journal of Chemical Theory and Computation
- 作者Li, Lesheng; Wong, Jian Cheng; Kanai, Yosuke
- 印刷ISSN1549-9618
- 电子ISSN1549-9626
- 文件大小2678.52KB
- 发表时间2017-04-21
- DOI10.1021/acs.jctc.7b00183
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