Twoparameter partially correlated groundstate electron density of some light spherical atoms from HartreeFock theory with nonintegral nuclear charge
Abstract
Partially correlated groundstate electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is HartreeFock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z{sup '} slightly different from the atomic number Z (=N). This HF density is scaled with a parameter {lambda}, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg.
 Authors:
 Departamento de Fisica, Universidad de Burgos, C/ Villadiego s/n, E09001 Burgos (Spain)
 (RUCA), 171 Groenenborgerlaan, B2020 Antwerp (Belgium)
 (United Kingdom)
 (Spain)
 Publication Date:
 OSTI Identifier:
 20982510
 Resource Type:
 Journal Article
 Resource Relation:
 Journal Name: Physical Review. A; Journal Volume: 75; Journal Issue: 5; Other Information: DOI: 10.1103/PhysRevA.75.052502; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA)
 Country of Publication:
 United States
 Language:
 English
 Subject:
 74 ATOMIC AND MOLECULAR PHYSICS; ARGON; ATOMIC NUMBER; ATOMS; BERYLLIUM; ELECTRON DENSITY; GROUND STATES; HARTREEFOCK METHOD; IONIZATION POTENTIAL; MAGNESIUM; NEON; SPHERICAL CONFIGURATION
Citation Formats
Cordero, Nicolas A., March, Norman H., Alonso, Julio A., Department of Physics, University of Antwerp, Oxford University, Oxford, England, and Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E47011 Valladolid. Twoparameter partially correlated groundstate electron density of some light spherical atoms from HartreeFock theory with nonintegral nuclear charge. United States: N. p., 2007.
Web. doi:10.1103/PHYSREVA.75.052502.
Cordero, Nicolas A., March, Norman H., Alonso, Julio A., Department of Physics, University of Antwerp, Oxford University, Oxford, England, & Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E47011 Valladolid. Twoparameter partially correlated groundstate electron density of some light spherical atoms from HartreeFock theory with nonintegral nuclear charge. United States. doi:10.1103/PHYSREVA.75.052502.
Cordero, Nicolas A., March, Norman H., Alonso, Julio A., Department of Physics, University of Antwerp, Oxford University, Oxford, England, and Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E47011 Valladolid. Tue .
"Twoparameter partially correlated groundstate electron density of some light spherical atoms from HartreeFock theory with nonintegral nuclear charge". United States.
doi:10.1103/PHYSREVA.75.052502.
@article{osti_20982510,
title = {Twoparameter partially correlated groundstate electron density of some light spherical atoms from HartreeFock theory with nonintegral nuclear charge},
author = {Cordero, Nicolas A. and March, Norman H. and Alonso, Julio A. and Department of Physics, University of Antwerp and Oxford University, Oxford, England and Departamento de Fisica Teorica, Atomica y Optica, Universidad de Valladolid, E47011 Valladolid},
abstractNote = {Partially correlated groundstate electron densities for some spherical light atoms are calculated, into which nonrelativistic ionization potentials represent essential input data. The nuclear cusp condition of Kato is satisfied precisely. The basic theoretical starting point, however, is HartreeFock (HF) theory for the N electrons under consideration but with nonintegral nuclear charge Z{sup '} slightly different from the atomic number Z (=N). This HF density is scaled with a parameter {lambda}, near to unity, to preserve normalization. Finally, some tests are performed on the densities for the atoms Ne and Ar, as well as for Be and Mg.},
doi = {10.1103/PHYSREVA.75.052502},
journal = {Physical Review. A},
number = 5,
volume = 75,
place = {United States},
year = {Tue May 15 00:00:00 EDT 2007},
month = {Tue May 15 00:00:00 EDT 2007}
}
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