English

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

Quantum Physics 2009-11-05 v2 Atomic and Molecular Clusters

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.

Keywords

Cite

@article{arxiv.0908.0832,
  title  = {Time-dependent Generalized SIC-OEP formalism and Generalized SIC-Slater approximation},
  author = {J. Messud and P. M. Dinh and P. -G. Reinhard and E. Suraud},
  journal= {arXiv preprint arXiv:0908.0832},
  year   = {2009}
}

Comments

5 pages, 3 figures

R2 v1 2026-06-21T13:33:01.647Z