Assessing locally range-separated hybrid functionals from a gradient expansion of the exchange energy density-Reference-Cited by-同舟云学术

Assessing locally range-separated hybrid functionals from a gradient expansion of the exchange energy density

Published:2021-06-07 Issue:21 Volume:154 Page:214101
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Maier Toni M.¹^ORCID,Ikabata Yasuhiro²^ORCID,Nakai Hiromi²³⁴^ORCID

Affiliation:

1. Technische Universität Berlin, Institut für Chemie, Theoretische Chemie/Quantenchemie, Sekr. C7, Straße des 17. Juni 135, D-10623 Berlin, Germany

2. Waseda Research Institute for Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan

3. Department of Chemistry and Biochemistry, School of Advanced Science and Engineering, Waseda University, 3-4-1 Okubo, Shinjuku-ku, Tokyo 169-8555, Japan

4. Elements Strategy Initiative for Catalysts and Batteries (ESICB), Kyoto University, Katsura, Kyoto 615-8520, Japan

Funder

Alexander von Humboldt-Stiftung

Japan Society for the Promotion of Science

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0047628

Reference82 articles.

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

2. A long-range-corrected time-dependent density functional theory

3. Long-range correction for density functional theory

4. A. Savin, in Recent Developments and Applications of Modern Density Functional Theory, Theoretical and Computational Chemistry Vol. 4, edited by J. Seminario (Elsevier, 1996), pp. 327–357.

5. Density functionals for the Yukawa electron-electron interaction

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