Density-gradient analysis for density fu
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Aleš Zupan; John P. Perdew; Kieron Burke; Mauro Causà
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Article
📅
1997
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John Wiley and Sons
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English
⚖ 281 KB
👁 2 views
We present an analysis of local or semilocal density functionals for the Ž exchange᎐correlation energy by decomposing them into their gradients r local Seitz s . Ž . Ž . radius , relative spin polarization , and s reduced density gradient . We explain the numerical method pertaining to this kind of