Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma-Reference-Cited by-同舟云学术

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Kohn-Sham Density Functional Theory with Complex, Spin-Restricted Orbitals: Accessing a New Class of Densities without the Symmetry Dilemma

Published:2019-09-10 Issue:11 Volume:123 Page:
ISSN:0031-9007
Container-title:Physical Review Letters
language:en
Short-container-title:Phys. Rev. Lett.

Author:

Lee Joonho,Bertels Luke W.,Small David W.,Head-Gordon Martin

Funder

U.S. Department of Energy

Office of Science

Office of Basic Energy Sciences

Publisher

American Physical Society (APS)

Subject

General Physics and Astronomy

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevLett.123.113001/fulltext

Reference43 articles.

1. Self-Consistent Equations Including Exchange and Correlation Effects

2. Thirty years of density functional theory in computational chemistry: an overview and extensive assessment of 200 density functionals

3. Challenges for Density Functional Theory

4. Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalism

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3. Orbital-optimized density functional calculations of molecular Rydberg excited states with real space grid representation and self-interaction correction;The Journal of Chemical Physics;2023-12-04

4. Progress toward a formal functional theory of strongly correlated systems;Physical Review A;2023-11-02

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