Additional Insights between Fermi–Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT-Reference-Cited by-同舟云学术

Additional Insights between Fermi–Löwdin Orbital SIC and the Localization Equation Constraints in SIC-DFT

Published:2018-10-26 Issue:22 Volume:9 Page:6456-6462
ISSN:1948-7185
Container-title:The Journal of Physical Chemistry Letters
language:en
Short-container-title:J. Phys. Chem. Lett.

Author:

Aquino Fredy W.¹,Wong Bryan M.¹^ORCID

Affiliation:

1. Department of Chemical & Environmental Engineering, Materials Science & Engineering Program, and Department of Physics & Astronomy, University of California—Riverside, Riverside, California 92521, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

General Materials Science,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpclett.8b02786

Reference41 articles.

1. Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr

2. Charge localization in a diamine cation provides a test of energy functionals and self-interaction correction

3. Use of Löwdin orthogonalised Fermi orbitals for self-interaction corrections in an iron porphyrin

4. The Role of Self-Interaction Corrections, Vibrations, and Spin-Orbit in Determining the Ground Spin State in a Simple Heme

5. Symmetry Breaking within Fermi–Löwdin Orbital Self-Interaction Corrected Density Functional Theory

Cited by 13 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. DOCSIC: A Mean-Field Method for Orbital-by-Orbital Self-Interaction Correction;The Journal of Physical Chemistry A;2024-07-10

2. SHORYUKEN: An open-source software package for calculating nonlocal exchange interactions in nanowires;Computer Physics Communications;2024-07

3. Density Matrix Implementation of the Fermi–Löwdin Orbital Self-Interaction Correction Method;The Journal of Physical Chemistry A;2023-01-04

4. A Fine-Structure Constant Can Be Explained Using the Electrochemical Method;Journal of Modern Physics;2023

5. Simplification of Various Empirical Equations for the Electromagnetic Force in Terms of the Cosmic Microwave Background Temperature;Journal of Modern Physics;2023