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Title: Stretched or noded orbital densities and self-interaction correction in density functional theory

Authors:
 [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [2]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [1]; ORCiD logo [1]; ORCiD logo [1];  [1];  [1];  [5];  [5];  [5]; ORCiD logo [6]
  1. Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA
  2. Institute of Theoretical Physics, TU Bergakademie Freiberg, Leipziger Str. 23, D-09596 Freiberg, Germany
  3. Department of Physics and Science of Advanced Materials, Central Michigan University, Mount Pleasant, Michigan 48859, USA
  4. Department of Chemistry, University of Helsinki, Helsinki FI-00014, Finland
  5. Department of Physics, University of Texas at El Paso, El Paso, Texas 79968, USA
  6. Department of Physics, Temple University, Philadelphia, Pennsylvania 19122, USA, Department of Chemistry, Temple University, Philadelphia, Pennsylvania 19122, USA
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1510163
Grant/Contract Number:  
SC0012575; SC0018331
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 150 Journal Issue: 17; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Shahi, Chandra, Bhattarai, Puskar, Wagle, Kamal, Santra, Biswajit, Schwalbe, Sebastian, Hahn, Torsten, Kortus, Jens, Jackson, Koblar A., Peralta, Juan E., Trepte, Kai, Lehtola, Susi, Nepal, Niraj K., Myneni, Hemanadhan, Neupane, Bimal, Adhikari, Santosh, Ruzsinszky, Adrienn, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., and Perdew, John P.. Stretched or noded orbital densities and self-interaction correction in density functional theory. United States: N. p., 2019. Web. doi:10.1063/1.5087065.
Shahi, Chandra, Bhattarai, Puskar, Wagle, Kamal, Santra, Biswajit, Schwalbe, Sebastian, Hahn, Torsten, Kortus, Jens, Jackson, Koblar A., Peralta, Juan E., Trepte, Kai, Lehtola, Susi, Nepal, Niraj K., Myneni, Hemanadhan, Neupane, Bimal, Adhikari, Santosh, Ruzsinszky, Adrienn, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., & Perdew, John P.. Stretched or noded orbital densities and self-interaction correction in density functional theory. United States. doi:10.1063/1.5087065.
Shahi, Chandra, Bhattarai, Puskar, Wagle, Kamal, Santra, Biswajit, Schwalbe, Sebastian, Hahn, Torsten, Kortus, Jens, Jackson, Koblar A., Peralta, Juan E., Trepte, Kai, Lehtola, Susi, Nepal, Niraj K., Myneni, Hemanadhan, Neupane, Bimal, Adhikari, Santosh, Ruzsinszky, Adrienn, Yamamoto, Yoh, Baruah, Tunna, Zope, Rajendra R., and Perdew, John P.. Tue . "Stretched or noded orbital densities and self-interaction correction in density functional theory". United States. doi:10.1063/1.5087065.
@article{osti_1510163,
title = {Stretched or noded orbital densities and self-interaction correction in density functional theory},
author = {Shahi, Chandra and Bhattarai, Puskar and Wagle, Kamal and Santra, Biswajit and Schwalbe, Sebastian and Hahn, Torsten and Kortus, Jens and Jackson, Koblar A. and Peralta, Juan E. and Trepte, Kai and Lehtola, Susi and Nepal, Niraj K. and Myneni, Hemanadhan and Neupane, Bimal and Adhikari, Santosh and Ruzsinszky, Adrienn and Yamamoto, Yoh and Baruah, Tunna and Zope, Rajendra R. and Perdew, John P.},
abstractNote = {},
doi = {10.1063/1.5087065},
journal = {Journal of Chemical Physics},
number = 17,
volume = 150,
place = {United States},
year = {2019},
month = {5}
}

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This content will become publicly available on May 1, 2020
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Works referenced in this record:

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