Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach-Reference-Cited by-同舟云学术

Formulation and Implementation of the Spin-Restricted Ensemble-Referenced Kohn–Sham Method in the Context of the Density Functional Tight Binding Approach

Published:2019-04-10 Issue:5 Volume:15 Page:3021-3032
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lee In Seong¹,Filatov Michael²^ORCID,Min Seung Kyu¹^ORCID

Affiliation:

1. Department of Chemistry, School of Natural Science, Ulsan National Institute of Science and Technology (UNIST), 50 UNIST-gil, Ulsan 44919, Republic of Korea

2. Department of Chemistry, Kyungpook National University, Daegu 702-701, Republic of 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.9b00132

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