Generalized Formulation of the Density Functional Tight Binding-Based Restricted Ensemble Kohn–Sham Method with Onsite Correction to Long-Range Correction
Author:
Affiliation:
1. Department of Chemistry, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulju-gun, Ulsan 44919, South Korea
Funder
National Research Foundation of Korea
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.2c00037
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