The optimized effective potential for atoms and semiconductors

DOI10.1142/S0217979296000167MaRDI QIDQ3106728zbMATH OpenFDO

Authors D. M. Bylander, Leonard Kleinman

Publication date 29 December 2011

Published in International Journal of Modern Physics B (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1142/S0217979296000167

Mathematics Subject Classification ID

Statistical mechanics of superconductors (82D55)

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Cited in

(6)

• Local exchange potentials for electronic structure calculations
• Atom-centered functions in the optimized Thomas-Fermi theory
• White and Bird's formulation of gradient-corrected exchange-correlation potentials applied to atoms
• The generalized SIC-OEP formalism and the generalized SIC-Slater approximation (stationary and time-dependent cases)
• Exchange energy density definitions from the optimized exchange-force, exemplified for non-relativistic Ne- and Ar-like atomic ions in the limit of large nuclear charge
• Mathematical remarks on the optimized effective potential problem.

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