Frequency and Zero-Point Vibrational Energy Scale Factors for Double-Hybrid Density Functionals (and Other Selected Methods): Can Anharmonic Force Fields Be Avoided?
Author:
Affiliation:
1. Department of Organic Chemistry, Weizmann Institute of Science, 76100 Reḥovot, Israel
Funder
Lise Meitner-Minerva Center for Computational Quantum Chemistry
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/jp508422u
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