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Density Matrix Implementation of the Fermi–Löwdin Orbital Self-Interaction Correction Method

  • Published:2023-01-04 Issue:2 Volume:127 Page:527-534
  • ISSN:1089-5639
  • Container-title:The Journal of Physical Chemistry A
  • language:en
  • Short-container-title:J. Phys. Chem. A

Author:

Melo Juan I.12ORCID,Pederson Mark R.3,Peralta Juan E.4ORCID

Affiliation:

1. Facultad de Ciencias Exactas y Naturales, Departamento de Física, Universidad de Buenos Aires, Buenos Aires1428, Argentina

2. CONICET - Universidad de Buenos Aires, Instituto de Física de Buenos Aires (IFIBA), Buenos Aires1428, Argentina

3. Department of Physics, the University of Texas at El Paso, El Paso, Texas79968, United States

4. Department of Physics, Central Michigan University, Mount Pleasant, Michigan48859, United States

Funder

Basic Energy Sciences

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Cited by 3 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. Use of FLOSIC for understanding anion-solvent interactions;The Journal of Chemical Physics;2023-10-20

3. MQM 2022: The 10th Triennial Conference on Molecular Quantum Mechanics;The Journal of Physical Chemistry A;2023-06-15
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