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

Chandra Shahi, Puskar Bhattarai, Kamal Wagle, Biswajit Santra, Sebastian Schwalbe, Torsten Hahn, Jens Kortus, Koblar A. Jackson, Juan E. Peralta, Kai Trepte, Susi Lehtola, Niraj K. Nepal, Hemanadhan Myneni, Bimal Neupane, Santosh Adhikari, Adrienn Ruzsinszky, Yoh Yamamoto, Tunna Baruah, Rajendra R. Zope, John P. Perdew

Forskningsoutput: TidskriftsbidragArtikelVetenskapligPeer review

Originalspråkengelska
Artikelnummer174102
TidskriftJournal of Chemical Physics
Volym150
Utgåva17
Antal sidor8
ISSN0021-9606
DOI
StatusPublicerad - 7 maj 2019
MoE-publikationstypA1 Tidskriftsartikel-refererad

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Shahi, C., Bhattarai, P., Wagle, K., Santra, B., Schwalbe, S., Hahn, T., Kortus, J., Jackson, K. A., Peralta, J. E., Trepte, K., Lehtola, S., Nepal, N. K., Myneni, H., Neupane, B., Adhikari, S., Ruzsinszky, A., Yamamoto, Y., Baruah, T., Zope, R. R., & Perdew, J. P. (2019). Stretched or noded orbital densities and self-interaction correction in density functional theory. Journal of Chemical Physics, 150(17), [174102]. https://doi.org/10.1063/1.5087065