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Kohn-Sham Self-Interaction Correction in Real Time.
- 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