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Title: Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings

Authors:
 [1] ;  [2] ;  [1] ; ORCiD logo [2] ;  [3] ;  [3] ;  [3] ;  [3] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Department of Physics, Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, USA
  2. Department of Physics, Central Michigan University, Mount Pleasant, Michigan 48859, USA
  3. Department of Physics, University of Texas El Paso, El Paso, Texas 79968, USA
Publication Date:
Grant/Contract Number:
E-SC0001330
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 149 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1478443

Joshi, Rajendra P., Trepte, Kai, Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Basurto, Luis, Zope, Rajendra R., Baruah, Tunna, Jackson, Koblar A., and Peralta, Juan E.. Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings. United States: N. p., Web. doi:10.1063/1.5050809.
Joshi, Rajendra P., Trepte, Kai, Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Basurto, Luis, Zope, Rajendra R., Baruah, Tunna, Jackson, Koblar A., & Peralta, Juan E.. Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings. United States. doi:10.1063/1.5050809.
Joshi, Rajendra P., Trepte, Kai, Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Basurto, Luis, Zope, Rajendra R., Baruah, Tunna, Jackson, Koblar A., and Peralta, Juan E.. 2018. "Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings". United States. doi:10.1063/1.5050809.
@article{osti_1478443,
title = {Fermi-Löwdin orbital self-interaction correction to magnetic exchange couplings},
author = {Joshi, Rajendra P. and Trepte, Kai and Withanage, Kushantha P. K. and Sharkas, Kamal and Yamamoto, Yoh and Basurto, Luis and Zope, Rajendra R. and Baruah, Tunna and Jackson, Koblar A. and Peralta, Juan E.},
abstractNote = {},
doi = {10.1063/1.5050809},
journal = {Journal of Chemical Physics},
number = 16,
volume = 149,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

Density?functional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913

Self-interaction correction to density-functional approximations for many-electron systems
journal, May 1981