Explicitly Correlated Double-Hybrid DFT: A Comprehensive Analysis of the Basis Set Convergence on the GMTKN55 Database
Author:
Affiliation:
1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Reḥovot, Israel
Funder
Israel Science Foundation
Minerva Foundation
Weizmann Institute of Science
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00426
Reference150 articles.
1. Many – Body Methods in Chemistry and Physics
2. Inhomogeneous Electron Gas
3. Self-Consistent Equations Including Exchange and Correlation Effects
4. Semiempirical hybrid density functional with perturbative second-order correlation
5. Double-hybrid density functionals
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