Excitation energies expressed as orbital energies of Kohn–Sham density functional theory with long‐range corrected functionals-Reference-Cited by-同舟云学术

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Excitation energies expressed as orbital energies of Kohn–Sham density functional theory with long‐range corrected functionals

Published:2020-02-28 Issue:14 Volume:41 Page:1368-1383
ISSN:0192-8651
Container-title:Journal of Computational Chemistry
language:en
Short-container-title:J Comput Chem

Author:

Hirao Kimihiko¹²^ORCID,Chan Bun³^ORCID,Song Jong‐Won⁴^ORCID,Bhattarai Kamala⁴,Tewary Subrata¹

Affiliation:

1. RIKEN Center for Computational Science Chuo‐ku Kobe Japan

2. Fukui Institute for Fundamental ChemistryKyoto University Sakyo‐ku Kyoto Japan

3. Graduate School of EngineeringNagasaki University Nagasaki Japan

4. Department of Chemistry EducationDaegu University Gyeongsan South Korea

Funder

National Research Foundation of Korea

Japan Society for the Promotion of Science

Publisher

Wiley

Subject

Computational Mathematics,General Chemistry

Link

https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.26181

Reference74 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Density Functional Theory in Quantum Chemistry

3. Perspective: Kohn-Sham density functional theory descending a staircase

4. A long-range correction scheme for generalized-gradient-approximation exchange functionals

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