Title of article :
Improved Slater approximation to SIC–OEP
Author/Authors :
J. Messud، نويسنده , , J. and Dinh، نويسنده , , P.M. and Reinhard، نويسنده , , P.-G. and Suraud، نويسنده , , E.، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2008
Pages :
5
From page :
316
To page :
320
Abstract :
We propose a simplification of the optimized effective potential (OEP) method applied to the self-interaction correction (SIC) on the local density approximation (LDA) in density-functional theory (DFT). The new scheme fulfills crucial formal key properties. It turns out to be simple and accurate. We apply the new method to a schematic model for a dimer molecule and to the C atom. We discuss observables which are especially sensitive to details of the SIC.
Journal title :
Chemical Physics Letters
Serial Year :
2008
Journal title :
Chemical Physics Letters
Record number :
1924733
Link To Document :
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