Exploiting a Shortcoming of Coupled-Cluster Theory: The Extent of Non-Hermiticity as a Diagnostic Indicator of Computational Accuracy

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.5c00885
Affiliations:
3
Authors:
7
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Institutions Authors Share
University of Florida (UF), United States of America (USA)
4.500000
 0.64
Southern Methodist University (SMU), United States of America (USA)
2.000000
 0.29
Weizmann Institute of Science (WIS), Israel
0.500000
 0.07
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