On the "generalized slater" approximation

Messud J, Dinh PM, Suraud E, Reinhard PG (2009)

Publication Type: Journal article

Publication year: 2009

Journal

International Journal of Modern Physics B World Scientific Publishing

Book Volume: 23

Pages Range: 4087-4095

Journal Issue: 20-21

DOI: 10.1142/s0217979209063274

Abstract

We work within the Density Functional Theory (DFT), in the Local Density Approximation (LDA) with Self Interaction Correction (SIC). We show that, thanks to a formulation which employs two different sets of orbitals, the equations can be written in the form of eigenvalues equations, leading to single electron interpretation. However, the resulting hamiltonian is non-local. We propose to find it's best local approximation within using the Optimized Effective Potential (OEP) method. The resulting approximate theory is denominated "Generalized Slater". We show that this new scheme cures the pathologies of the standard SIC-Slater or SIC-KLI approximations. © 2009 World Scientific Publishing Company.

Authors with CRIS profile

Paul-Gerhard Reinhard Naturwissenschaftliche Fakultät

Involved external institutions

Université Fédérale de Toulouse Midi-Pyrénées FR France (FR)

How to cite

APA:

Messud, J., Dinh, P.M., Suraud, E., & Reinhard, P.-G. (2009). On the "generalized slater" approximation. International Journal of Modern Physics B, 23(20-21), 4087-4095. https://dx.doi.org/10.1142/s0217979209063274

MLA:

Messud, J., et al. "On the "generalized slater" approximation." International Journal of Modern Physics B 23.20-21 (2009): 4087-4095.

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