Density-related properties from self-interaction corrected density functional theory calculations-Reference-Cited by-同舟云学术

Density-related properties from self-interaction corrected density functional theory calculations

Published:2021-01-14 Issue:2 Volume:154 Page:024102
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Withanage Kushantha P. K.¹^ORCID,Bhattarai Puskar²^ORCID,Peralta Juan E.¹^ORCID,Zope Rajendra R.³^ORCID,Baruah Tunna³^ORCID,Perdew John P.⁴^ORCID,Jackson Koblar A.¹^ORCID

Affiliation:

1. Physics Department and Science of Advanced Materials Program, Central Michigan University, Mt. Pleasant, Michigan 48859, USA

2. Physics Department, Temple University, Philadelphia, Pennsylvania 19122, USA

3. Physics Department and Computational Science Program, University of Texas, El Paso, Texas 79968, USA

4. Physics Department and Chemistry Department, Temple University, Philadelphia, Pennsylvania 19122, USA

Funder

U.S. Department of Energy

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://aip.scitation.org/doi/am-pdf/10.1063/5.0034545

Reference46 articles.

1. Self-interaction correction to density-functional approximations for many-electron systems

2. Local‐density Hartree–Fock theory of electronic states of molecules with self‐interaction correction

3. Communication: Self-interaction correction with unitary invariance in density functional theory

4. The effect of self-interaction error on electrostatic dipoles calculated using density functional theory

5. Self-interaction-free electric dipole polarizabilities for atoms and their ions using the Fermi-Löwdin self-interaction correction

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