Reduced-Scaling Double Hybrid Density Functional Theory with Rapid Basis Set Convergence through Localized Pair Natural Orbital F12
Author:
Affiliation:
1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, Reḥovot7610001, Israel
Funder
Israel Science Foundation
Minerva Foundation
Artificial Intelligence and Smart Materials Research Fund
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c02620
Reference79 articles.
1. Inhomogeneous Electron Gas
2. Self-Consistent Equations Including Exchange and Correlation Effects
3. Jacob’s ladder of density functional approximations for the exchange-correlation energy
4. Semiempirical hybrid density functional with perturbative second-order correlation
5. Double-hybrid density functionals
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