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

dc.contributor.authorSalvat Gavaldà, Francesccat
dc.contributor.authorMartínez, J. D.cat
dc.contributor.authorMayol Sánchez, Ricardocat
dc.contributor.authorParellada Sabata, Juancat
dc.date.accessioned2009-09-23T09:29:22Z
dc.date.available2009-09-23T09:29:22Z
dc.date.issued1987cat
dc.description.abstractAn 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.eng
dc.format.extent8 p.cat
dc.format.mimetypeapplication/pdfeng
dc.identifier.idgrec10294cat
dc.identifier.issn1050-2947cat
dc.identifier.urihttps://hdl.handle.net/2445/9406
dc.language.isoengeng
dc.publisherThe American Physical Societycat
dc.relation.isformatofReproducció digital del document publicat en format paper, proporcionada per PROLA i http://dx.doi.org/10.1103/PhysRevA.36.467cat
dc.relation.ispartofPhysical Review A, 1987, vol. 36, núm. 2, p. 467-474.cat
dc.relation.urihttp://dx.doi.org/10.1103/PhysRevA.36.467
dc.rights(c) The American Physical Society, 1987cat
dc.rights.accessRightsinfo:eu-repo/semantics/openAccess
dc.sourceArticles publicats en revistes (Física Quàntica i Astrofísica)
dc.subject.classificationEstructura electrònicacat
dc.subject.classificationÀtomscat
dc.subject.classificationFisicoquímicacat
dc.subject.otherElectronic structureeng
dc.subject.otherAtomic interactionseng
dc.titleAnalytical Dirac-Hartree-Fock-Slater screening function for atoms (Z=1-92)eng
dc.typeinfo:eu-repo/semantics/articleeng
dc.typeinfo:eu-repo/semantics/publishedVersion

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