Analytical Dirac-Hartree-Fock-Slater screening function for atoms (Z=1–92)
Open Access
- 1 July 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 36 (2) , 467-474
- https://doi.org/10.1103/physreva.36.467
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.Keywords
This publication has 14 references indexed in Scilit:
- Thomas-Fermi approach to diatomic systems. I. Solution of the Thomas-Fermi and Thomas-Fermi-Dirac-Weizsäcker equationsPhysical Review A, 1979
- An Analytic Independent Particle Model for AtomsPublished by Elsevier ,1973
- Relativistic self-consistent field program for atoms and ionsComputer Physics Communications, 1971
- Analytic Independent-Particle Model for AtomsPhysical Review B, 1969
- Approximate Variational Solution of the Thomas-Fermi Equation for AtomsPhysical Review B, 1968
- Self-Consistent-Field Dirac-Slater Wave Functions for Atoms and Ions. I. Comparison with Previous CalculationsPhysical Review B, 1965
- Analytical Expressions for Potentials of Neutral Thomas—Fermi—Dirac Atoms and for the Corresponding Atomic Scattering Factors for X Rays and ElectronsThe Journal of Chemical Physics, 1963
- Atomic Energy Levels for the Thomas-Fermi and Thomas-Fermi-Dirac PotentialPhysical Review B, 1955
- Molière's Theory of Multiple ScatteringPhysical Review B, 1953
- A Simplification of the Hartree-Fock MethodPhysical Review B, 1951