Back to Search Start Over

Kohn-Sham Self-Interaction Correction in Real Time.

Authors :
Hofmann, D.
Körzdörfer, T.
Kümmel, S.
Source :
Physical Review Letters. 4/6/2012, Vol. 108 Issue 14, p1-5. 5p.
Publication Year :
2012

Abstract

We present a solution scheme for the time-dependent Kohn-Sham self-interaction correction. Based on the generalized optimized effective potential approach, the multiplicative Kohn-Sham potential is constructed in real time and real space for the self-interaction corrected local density approximation. Excitations of different character, including charge-transfer excitations that had been regarded as prime examples for the failure of standard time-dependent density functionals, are described correctly by this approach. We analyze the time-dependent exchange-correlation potential and density, revealing features that are decisive for the correct description of the response. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
00319007
Volume :
108
Issue :
14
Database :
Academic Search Index
Journal :
Physical Review Letters
Publication Type :
Academic Journal
Accession number :
76255376
Full Text :
https://doi.org/10.1103/PhysRevLett.108.146401