Ubiquitous Negative Electron Densities Discredit Smooth Energy Interpolation in Density Functional Theory

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.6c00662
Affiliations:
4
Authors:
6
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Institutions Authors Share
McMaster University, Canada
3.333333
 0.56
Queen's University, Canada
1.333333
 0.22
University of Florida (UF), United States of America (USA)
1.000000
 0.17
University of Ottawa (uOttawa), Canada
0.333333
 0.06
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