From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential-Reference-Cited by-同舟云学术

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From Kohn–Sham to Many-Electron Energies via Step Structures in the Exchange-Correlation Potential

Published:2021-02-17 Issue:3 Volume:17 Page:1390-1407
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kraisler Eli¹^ORCID,Hodgson M. J. P.²³^ORCID,Gross E. K. U.¹

Affiliation:

1. Fritz Haber Center for Molecular Dynamics and Institute of Chemistry, The Hebrew University of Jerusalem, 9091401 Jerusalem, Israel

2. Department of Physics, Durham University, South Road, Durham DH1 3LE, United Kingdom

3. Max-Planck-Institut für Mikrostrukturphysik, Weinberg 2, D-06120 Halle, Germany

Funder

H2020 European Research Council

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.0c01093

Reference180 articles.

1. Status and Challenges of Density Functional Theory

2. Density Functional Theory

3. A Primer in Density Functional Theory

4. Density Functional Theory

Cited by 14 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Levy–Perdew–Sahni Equation and the Kohn–Sham Inversion Problem;Electron Density;2024-07-05

2. Neutral electronic excitations and derivative discontinuities: An extended N -centered ensemble density functional theory perspective;Physical Review B;2024-06-06

3. Ionization potentials and fundamental gaps in atomic systems from the Ensemble-DFT approach;The Journal of Chemical Physics;2023-04-20

4. Toward routine Kohn–Sham inversion using the “Lieb-response” approach;The Journal of Chemical Physics;2023-02-08

5. Geometric potential of the exact electron factorization: Meaning, significance, and application;Physical Review Research;2023-01-17

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