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arxiv: 0908.0832 · v2 · submitted 2009-08-06 · 🪐 quant-ph · physics.atm-clus

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

classification 🪐 quant-ph physics.atm-clus
keywords generalizedsic-slaterapproximationformalismmethodsic-oeptime-dependentapplying
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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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