Polarizibilities as a test of localized approximations to the self-interaction correction
arXiv:0901.2011 · doi:10.1016/j.cplett.2009.08.027
Abstract
We present applications of the recently introduced ``Generalized SIC-Slater'' scheme which provides a simple Self-Interaction Correction approximation in the framework of the Optimized Effective Potential. We focus on the computation of static polarizabilities which are known to constitute stringent tests for Density Functional Theory. We apply the new method to model H chains, but also to more realistic systems such as C4 (organic) chains, and less symmetrical systems such as a Na5 (metallic) cluster. Comparison is made with other SIC schemes, especially with the standard SIC-Slater one.
17 pages, 4 figures, 49 references
References in corpus (9)
- Separable Dual Space Gaussian Pseudo-potentials
- A critical assessment of the Self-Interaction Corrected Local Density Functional method and its algorithmic implementation
- Electrical response of molecular systems: the power of self-interaction corrected Kohn-Sham theory
- Violation of the `Zero-Force Theorem' in the time-dependent Krieger-Li-Iafrate approximation
- Time-dependent density-functional theory with self-interaction correction
- Ab initio many-body calculations of static dipole polarizabilities of linear carbon chains and chain-like boron clusters
- Ionic structure and photoabsorption in medium sized sodium clusters
- On the exact treatment of Time Dependent Self-Interaction Correction
- Improved Slater approximation to SIC-OEP