The exact Fermi potential yielding the Hartree-Fock electron density from orbital-free density functional theory-Reference-Cited by-同舟云学术

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The exact Fermi potential yielding the Hartree-Fock electron density from orbital-free density functional theory

Published:2017-02-22 Issue:10 Volume:117 Page:e25364
ISSN:0020-7608
Container-title:International Journal of Quantum Chemistry
language:en
Short-container-title:Int J Quantum Chem

Author:

Finzel Kati¹^ORCID,Ayers Paul W.²

Affiliation:

1. Department of Inorganic and Physical Chemistry; Ghent University; 281 Krijgslaan Ghent 9000 Belgium

2. Department of Chemistry and Chemical Biology; McMaster University; Hamilton ON L8S 4M1 Canada

Funder

Alexander von Humboldt-Stiftung

Swedish Government Strategic Research Area in Materials Science on Functional Materials at Linköping University

NSERC and Compute Canada

Publisher

Wiley

Subject

Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics

Reference33 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Issues and challenges in orbital-free density functional calculations

3. Progress on New Approaches to Old Ideas: Orbital-Free Density Functionals

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1. DFT potentials from a chemical perspective: Anatomy of electron (de)localization in molecules and crystals;Journal of Computational Chemistry;2023-05-15

2. Gaussian basis functions for an orbital‐free‐related density functional theory of atoms;International Journal of Quantum Chemistry;2023-02-25

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

4. The bifunctional formalism: an alternative treatment of density functionals;Letters in Mathematical Physics;2022-01-10

5. Analysis of atomic Pauli potentials and their large-Z limit;The Journal of Chemical Physics;2021-10-07

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