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An atomic kinetic energy functional with full Weizsacker correction
A functional is proposed for representing the electronic kinetic energy of the ground state of an N-electron atom or ion in terms of its electron density, [Formula: see text] Here T(w) is the Weizsacker quantity (⅛)∫(∇ρ·∇ρ/ρ)dτ and T(0) is the Thomas-Fermi quantity C(F) ∫ ρ(5 / 3)dτ. From Hartree-Fo...
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| Main Authors: | , , , |
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| Format: | Artigo |
| Sprog: | Inglês |
| Udgivet: |
1980
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| Fag: | |
| Online adgang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC350423/ https://ncbi.nlm.nih.gov/pubmed/16592931 |
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