Energy decomposition analysis of single bonds within Kohn–Sham density functional theory
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Title
Energy decomposition analysis of single bonds within Kohn–Sham density functional theory
Authors
Keywords
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Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 114, Issue 48, Pages 12649-12656
Publisher
Proceedings of the National Academy of Sciences
Online
2017-11-21
DOI
10.1073/pnas.1715763114
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