CIFICEN 24414
CENTRO DE INVESTIGACIONES EN FISICA E INGENIERIA DEL CENTRO DE LA PROVINCIA DE BUENOS AIRES
Unidad Ejecutora - UE
artículos
Título:
THE THOMAS-FERMI APPROACH TO DENSITY FUNCTIONAL THEORY: BINDING ENERGY FOR ATOMIC SYSTEMS
Autor/es:
FERNANDO LANZINI; JULIO C. AGUIAR; DI ROCCO, HECTOR OSCAR
Revista:
EUROPEAN JOURNAL OF PHYSICS
Editorial:
IOP PUBLISHING LTD
Referencias:
Lugar: Londres; Año: 2016 vol. 37 p. 65402 - 65402
ISSN:
0143-0807
Resumen:
In this work, we re-examine the Thomas-Fermi (TF) formalism as an approach to the calculation of atomic binding energies. We focus on the concept of electron density as the central magnitude, and the way in which the different contributions to the total energy can be evaluated from it. Total energies of simple atoms (Z=2 to 10) are calculated using three different analytical approximations for the electronic density, and the results are compared with those obtained within the Hartree-Fock model.
