Counterpoise Correction and Charge Embedding as Antidotes for Delocalization Error in Density Functional Many-Body Expansion

Journal:
The Journal of Physical Chemistry Letters
Published:
DOI:
10.1021/acs.jpclett.5c03636
Affiliations:
1
Authors:
2
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Institutions Authors Share
University of New South Wales (UNSW Sydney), Australia
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