Recent density functional theory (DFT) work of Gál and March (GM) on the ground-state 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 by . Also the model of GM satisfies , 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 , the non-relativistic energy of such neutral atoms as . The correlated electron density is finally considered briefly in the two models cited above.

The key role of electron-nuclear potential energy in determining the ground-state energy of inhomogeneous electron liquids in both real and model atoms

AMOVILLI, CLAUDIO;
2014

Abstract

Recent density functional theory (DFT) work of Gál and March (GM) on the ground-state 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 by . Also the model of GM satisfies , 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 , the non-relativistic energy of such neutral atoms as . The correlated electron density is finally considered briefly in the two models cited above.
Amovilli, Claudio; N. H., March
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11568/568467
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