Stretched or noded orbital densities and self-interaction...

The Journal of Chemical Physics 2019 / 05 Vol. 150; Iss. 17

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

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.,
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Volume:
150
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5087065
Date:
May, 2019
File:
PDF, 931 KB
english, 2019
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