Do Double-Hybrid Functionals Benefit from Regularization in the PT2 Term? Observations from an Extensive Benchmark
Author:
Affiliation:
1. Department of Molecular Chemistry and Materials Science, Weizmann Institute of Science, 7610001 Reḥovot, Israel
Funder
Israel Science Foundation
Feinberg Graduate School, Weizmann Institute of Science
Minerva Foundation
Publisher
American Chemical Society (ACS)
Subject
General Materials Science,Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.2c00718
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1. Double-hybrid density functionals
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5. Jacob’s ladder of density functional approximations for the exchange-correlation energy
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