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

Published 2020 View Full Article

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Title
Incorporating Electronic Information into Machine Learning Potential Energy Surfaces via Approaching the Ground-State Electronic Energy as a Function of Atom-Based Electronic Populations
Authors
Keywords
-
Journal
Journal of Chemical Theory and Computation
Volume 16, Issue 7, Pages 4256-4270
Publisher
American Chemical Society (ACS)
Online
2020-06-06
DOI
10.1021/acs.jctc.0c00217

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