Distributions and averages of electron density parameters: Explaining the effects of gradient

Zupan, Ales; Burke, Kieron; Ernzerhof, Matthias; Perdew, John P.
June 1997
Journal of Chemical Physics;6/22/1997, Vol. 106 Issue 24, p10184
Academic Journal
Analyzes the electron densities of atoms, molecules, solids and surfaces. Definition of distribution functions; Definition of averages; Uniform scaling behavior; Distribution functions evaluated; Evaluation of average values; Understanding gradient corrections; Bond stretching; Surface energies; Atomization energies.


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