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A Critical Assessment Of The Self Interaction Corrected Local Density Functional Method And Its Algorithmic Implementation by S. Goedecker
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1A Critical Assessment Of The Self-Interaction Corrected Local Density Functional Method And Its Algorithmic Implementation
By S. Goedecker and C. J. Umrigar
We calculate the electronic structure of several atoms and small molecules by direct minimization of the Self-Interaction Corrected Local Density Approximation (SIC-LDA) functional. To do this we first derive an expression for the gradient of this functional under the constraint that the orbitals be orthogonal and show that previously given expressions do not correctly incorporate this constraint. In our atomic calculations the SIC-LDA yields total energies, ionization energies and charge densities that are superior to results obtained with the Local Density Approximation (LDA). However, for molecules SIC-LDA gives bond lengths and reaction energies that are inferior to those obtained from LDA. The nonlocal BLYP functional, which we include as a representative GGA functional, outperforms both LDA and SIC-LDA for all ground state properties we considered.
“A Critical Assessment Of The Self-Interaction Corrected Local Density Functional Method And Its Algorithmic Implementation” Metadata:
- Title: ➤ A Critical Assessment Of The Self-Interaction Corrected Local Density Functional Method And Its Algorithmic Implementation
- Authors: S. GoedeckerC. J. Umrigar
- Language: English
Edition Identifiers:
- Internet Archive ID: arxiv-cond-mat9608043
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The book is available for download in "texts" format, the size of the file-s is: 6.55 Mbs, the file-s for this book were downloaded 60 times, the file-s went public at Mon Sep 23 2013.
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