Please use this identifier to cite or link to this item: http://hdl.handle.net/2445/9406
Title: Analytical Dirac-Hartree-Fock-Slater screening function for atoms (Z=1-92)
Author: Salvat Gavaldà, Francesc
Martínez, J. D.
Mayol Sánchez, Ricardo
Parellada Sabata, Juan
Keywords: Estructura electrònica
Àtoms
Fisicoquímica
Electronic structure
Atomic interactions
Issue Date: 1987
Publisher: The American Physical Society
Abstract: An analytical approximation, depending on five parameters, for the atomic screening function is proposed. The corresponding electrostatic potential takes a simple analytical form (superposition of three Yukawa potentials) well suited to most practical applications. Parameters in the screening function, determined by an analytical fitting procedure to Dirac-Hartree-Fock-Slater (DHFS) self-consistent data, are given for Z=1¿92. The reliability of this analytical approach is demonstrated by showing that (a) Born cross sections for elastic scattering of fast charged particles by the present analytical field and by the DHFS field practically coincide and (b) one-electron binding energies computed from the independent-particle model with our analytical field (corrected for exchange and electrostatic self-interaction) agree closely with the DHFS energy eigenvalues.
Note: Reproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevA.36.467
It is part of: Physical Review A, 1987, vol. 36, núm. 2, p. 467-474.
URI: http://hdl.handle.net/2445/9406
ISSN: 1050-2947
Appears in Collections:Articles publicats en revistes (Física Quàntica i Astrofísica)

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