Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation
classification
🪐 quant-ph
physics.atm-clus
keywords
generalizedsic-slaterapproximationformalismmethodsic-oeptime-dependentapplying
read the original abstract
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.
This paper has not been read by Pith yet.
discussion (0)
Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.