Analytical Dirac-Hartree-Fock-Slater screening function for atoms (Z = 1--92)

Journal Article · Wed Jul 15 04:00:00 EDT 1987 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.36.467· OSTI ID:6062300

Salvat, F; Mart-brevenez, J D; Mayol, R; Parellada, J

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.

• Research Organization: Departament d'Estructura i Constituents de la Materia, Facultat de Fsica, Universitat de Barcelona, Diagonal 645, 08028 Barcelona, Spain
• OSTI ID: 6062300
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 36:2; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ATOMIC NUMBER
ATOMS
ELECTRON DENSITY
MATHEMATICAL MODELS
NUCLEAR SCREENING
PARAMETRIC ANALYSIS
PARTICLE MODELS
POTENTIALS
SCREENING
SINGLE-PARTICLE MODEL
SLATER METHOD