Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation

Details Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation

2009-08-06

arxiv.org/abs/0908.0832v2

Phys. Rev. A 80 (2009) 044503

Physics

Quantum Physics

5 pages, 3 figures

Scientific paper

We propose a simplification of the full "2 sets" Time dependent Self Interaction Correction (TD-SIC) method, applying the Optimized Effective Potential (OEP) method. The new resulting scheme is called time-dependent "Generalized SIC-OEP". A straightforward approximation, using the spatial localization of one set of orbitals, leads to the "Generalized SIC-Slater" formalism. We show that it represents a great improvement compared to the traditional SIC-Slater/KLI formalisms.

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