Systematic Evaluation of Counterpoise Correction in Density Functional Theory
Author:
Affiliation:
1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio43210, United States
2. Biophysics Graduate Program, The Ohio State University, Columbus, Ohio43210, United States
Funder
Basic Energy Sciences
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00883
Reference119 articles.
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4. A consistent and accurate ab initio parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
5. A generally applicable atomic-charge dependent London dispersion correction
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