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Title: The effect of self-interaction error on electrostatic dipoles calculated using density functional theory

Authors:
 [1];  [2];  [1]; ORCiD logo [3];  [3]; ORCiD logo [3]; ORCiD logo [2]; ORCiD logo [2]
  1. Physics Department, Central Michigan University, Mt. Pleasant, Michigan 48859, USA
  2. Physics Department and Science of Advanced Materials Program, Central Michigan University, Mt. Pleasant, Michigan 48859, USA
  3. Physics Department, University of Texas at El Paso, El Paso, Texas 79968, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1573086
Grant/Contract Number:  
SC0018331
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Johnson, Alexander I., Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., Peralta, Juan E., and Jackson, Koblar A. The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. United States: N. p., 2019. Web. doi:10.1063/1.5125205.
Johnson, Alexander I., Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., Peralta, Juan E., & Jackson, Koblar A. The effect of self-interaction error on electrostatic dipoles calculated using density functional theory. United States. doi:10.1063/1.5125205.
Johnson, Alexander I., Withanage, Kushantha P. K., Sharkas, Kamal, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., Peralta, Juan E., and Jackson, Koblar A. Thu . "The effect of self-interaction error on electrostatic dipoles calculated using density functional theory". United States. doi:10.1063/1.5125205.
@article{osti_1573086,
title = {The effect of self-interaction error on electrostatic dipoles calculated using density functional theory},
author = {Johnson, Alexander I. and Withanage, Kushantha P. K. and Sharkas, Kamal and Yamamoto, Yoh and Baruah, Tunna and Zope, Rajendra R. and Peralta, Juan E. and Jackson, Koblar A.},
abstractNote = {},
doi = {10.1063/1.5125205},
journal = {Journal of Chemical Physics},
number = 17,
volume = 151,
place = {United States},
year = {2019},
month = {11}
}

Journal Article:
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This content will become publicly available on November 4, 2020
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Works referenced in this record:

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