Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian-Reference-Cited by-同舟云学术

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Range Separation Method for Density Functional Theory Based on Two-Electron Infinite-Order Two-Component Hamiltonian

Published:2024-01-09 Issue:2 Volume:20 Page:738-751
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Takashima Chinami¹^ORCID,Nakai Hiromi¹²^ORCID

Affiliation:

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

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

Funder

Japan Science and Technology Agency

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.3c01102

Reference93 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Combining long-range configuration interaction with short-range density functionals

3. Multiconfigurational short-range density-functional theory for open-shell systems

4. Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

5. Blind test of density-functional-based methods on intermolecular interaction energies

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