Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations

标题
Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations
作者
关键词
-
出版物
Journal of Chemical Theory and Computation
Volume 16, Issue 7, Pages 4256-4270
出版商
American Chemical Society (ACS)
发表日期
2020-06-06
DOI
10.1021/acs.jctc.0c00217

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