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Title
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The key role of electron-nuclear potential energy in determining the ground-state energy of inhomogeneous electron liquids in both real and model atoms
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Author
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Abstract
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| Recent density functional theory (DFT) work of Gl and March (GM) on the groundstate energy E of a two- electron model atom (like He but with inverse square law interparticle repulsion) related E to the electron- nuclear potential energy Uen by E = d1=2_Uen. Also the model of GM satisfies E = 2Uen, but now with harmonic confinement. While modern non- relativistic DFT requires numerical treatment of real atoms, in the exact limit of DFT at large Z, the Thomas- Fermi (TF) theory is regained, where much analytical work can be done. This yields, as Z -> 1, the non- relativistic energy of such neutral atoms as E = d3=7_Uen. The correlated |
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Language
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English
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Source (journal)
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Physics and chemistry of liquids. - London
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Publication
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London
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2014
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ISSN
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0031-9104
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DOI
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10.1080/00319104.2014.891036
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Volume/pages
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52
:4
(2014)
, p. 576-582
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ISI
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000337604100010
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Full text (Publisher's DOI)
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