Generalized Formulation of the Density Functional Tight Binding-Based Restricted Ensemble Kohn–Sham Method with Onsite Correction to Long-Range Correction-Reference-Cited by-同舟云学术

Generalized Formulation of the Density Functional Tight Binding-Based Restricted Ensemble Kohn–Sham Method with Onsite Correction to Long-Range Correction

Published:2022-05-12 Issue:6 Volume:18 Page:3391-3409
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Lee In Seong¹,Min Seung Kyu¹^ORCID

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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4. A three-dimensional movie of structural changes in bacteriorhodopsin

5. Theory and Simulation of the Ultrafast Double-Bond Isomerization of Biological Chromophores

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