Della Sala F, Görling A (2002)
Publication Type: Journal article, Original article
Publication year: 2002
Original Authors: Della Sala F., Görling A.
Publisher: American Physical Society
Book Volume: 89
Pages Range: 330031-330034
Journal Issue: 3
URI: https://www.scopus.com/record/display.uri?eid=2-s2.0-0037100866&origin=inward
The asymptotic behavior of the Kohn-Sham (KS) exchange potential for finite systems was discussed. It was shown that the Kohn-Sham exchange potential of finite systems approach different asymptotic limits on nodal surfaces of the energetically highest-occupied molecular orbital (HOMO) than in other regions. Barrier-well structures were found in the near asymptotic region which have a strong influence on the virtual orbits and excitation energies. The conditions for the presence of an asymptotic barrier well in the full exchange-correlation potential were also discussed.
APA:
Della Sala, F., & Görling, A. (2002). Asymptotic behavior of the kohn-sham exchange potential. Physical Review Letters, 89(3), 330031-330034.
MLA:
Della Sala, Fabio, and Andreas Görling. "Asymptotic behavior of the kohn-sham exchange potential." Physical Review Letters 89.3 (2002): 330031-330034.
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