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;
2014-01-01

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.
2014
Amovilli, Claudio; N. H., March
File in questo prodotto:
File Dimensione Formato  
enpot.pdf

accesso aperto

Descrizione: versione accettata per la pubblicazione
Tipologia: Documento in Post-print
Licenza: Tutti i diritti riservati (All rights reserved)
Dimensione 76.75 kB
Formato Adobe PDF
76.75 kB Adobe PDF Visualizza/Apri
article 1.pdf

solo utenti autorizzati

Tipologia: Versione finale editoriale
Licenza: NON PUBBLICO - Accesso privato/ristretto
Dimensione 191.45 kB
Formato Adobe PDF
191.45 kB Adobe PDF   Visualizza/Apri   Richiedi una copia

I documenti in IRIS sono protetti da copyright e tutti i diritti sono riservati, salvo diversa indicazione.

Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/11568/568467
Citazioni
  • ???jsp.display-item.citation.pmc??? ND
  • Scopus 0
  • ???jsp.display-item.citation.isi??? 0
social impact