Published March 1987 | Version v1
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Relativistic calculations of level energies of a high-Z atom

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Description

Level energies are calculated using relativistic and non-relativistic Hartree-Fock-Slater (RHFS and HFS) models for an Au-atom in various charge states. The level splitting due to orbital angular momentum and electron spin is investigated in comparison to a simple analytical model. This model is based on shell model and is an extension of previous such models in that it takes overlap of orbitals into account. The model can satisfactorily replicate the results of RHFS and HFS calculations. This model can be applied to other atoms as well. (orig.)

Availability note (English)

MF available from INIS under the Report Number.

Abstract (German)

Niveau-Energien fuer Au-Atome in verschiedenem Ladungszustand werden mit Hilfe der relativistischen und der nicht relativistischen Hartree-Fock-Slater-Methode (RHFS und HFS) berechnet. Die Niveau-Aufspaltung durch Bahndrehimpuls und Elektronenspin wird im Vergleich zu einem einfachen analytischen Modell untersucht. Dieses Modell basiert auf dem Schalen-Modell und ist eine Erweiterung der bisherigen Modelle, indem die Ueberlappungen der Elektronen-Bahnen beruecksichtigt werden. Dieses einfache Modell gibt die Ergebnisse der RHFS und HFS Rechnungen wieder. Dieses kann daher auch fuer andere Atome angewandt werden. (orig.)

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Additional details

Publishing Information

Imprint Pagination
21 p.
Report number
KFK--4176

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
18058564
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ATOMIC RADII; ATOMS; CHARGE STATES; EFFECTIVE CHARGE; ELECTRONIC STRUCTURE; ENERGY LEVELS; GOLD; HARTREE-FOCK METHOD; RELATIVISTIC RANGE; S STATES; SLATER METHOD
Descriptors DEC
ELEMENTS; ENERGY RANGE; METALS; TRANSITION ELEMENTS