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CORRECTIONS RELATIVISTESRELATIVISTIC ENERGIES OF EXCITED STATES OF ATOMS AND IONS OF THE SECOND PERIOD

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HAL Id: jpa-00213888

https://hal.archives-ouvertes.fr/jpa-00213888

Submitted on 1 Jan 1970

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CORRECTIONS RELATIVISTESRELATIVISTIC ENERGIES OF EXCITED STATES OF ATOMS AND

IONS OF THE SECOND PERIOD

J. Desclaux, C. Moser, G. Verhagen

To cite this version:

J. Desclaux, C. Moser, G. Verhagen. CORRECTIONS RELATIVISTESRELATIVISTIC ENERGIES

OF EXCITED STATES OF ATOMS AND IONS OF THE SECOND PERIOD. Journal de Physique

Colloques, 1970, 31 (C4), pp.C4-211-C4-211. �10.1051/jphyscol:1970433�. �jpa-00213888�

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CORRECTIONS RELATIVISTES.

RELATIVISTIC ENERGIES OF EXCITED STATES OF ATOMS AND IONS OF THE SECOND PERIOD

J. P. DESCLAUXH, C. M. MOSER (**) and G. VERHAGEN (***)

Résumé. — La résolution des équations de Hartree-Fock-Dirac permet de calculer les énergies relativistes pour l'ensemble des états J correspondant aux configurations 1 s

2

2 s'" 2 p " (0 =ï m < 2, 0 ^ H ^ 6). Les états J calculés sont ceux qui correspondent, pour une configuration, à une valeur propre unique et maximum de l'opérateur J-. De plus, des énergies relativistes moyennes sont obte- nues pour toutes les configurations envisagées. On compare les deux ensembles de résultats et dans le cas des configurations 1 s

2

2 p, 1 s

2

2 p*, 1 s

2

2 s

2

2 p, 1 s

2

2 s

2

2 p* on détermine l'écart entre multiplets (£(

2

Pi/2 —

2

P.v2)). Ces écarts sont en très bon accord avec les valeurs expérimen- tales. Les résultats tendent à confirmer l'hypothèse que la contribution relativiste à l'énergie pour les états LS moyennes en J est la même pour tous les états d'une même configuration. Ceci permet d'évaluer les énergies relativistes de tous les états des configurations considérées. On peut alors réévaluer d'une manière plus précise les énergies de corrélation récemment calculées pour ces mêmes états.

Abstract. — Relativistic energies are computed for a serie of J states corresponding to 1 s

2

2 s'" 2 p " ( 0 ^ m ^ 2 ; 0 < » < 6) configurations by solution of the Hartree-Fock-Dirac equa- tions. The J states calculated are those states whose eigenfunctions within a configuration corres- pond to a unique and maximum eigenvalue of the operator J

2

. In addition average relativistic energies are obtained for all configurations considered. The two sets of results are compared and in certain cases (the l s

2

2 p , l s

2

2 p * , l s

2

2 s

2

2 p , l s

2

2 s

2

2 p * configurations) permit a deter- mination of multiplet splittings ( £ (

2

P i / 2 —

2

P.V2)). The results of these splittings are in excellent agreement with available experimental results. The present results also tend to confirm the assump- tion that the relativistic energy contributions for the J averaged LS states are the same for all states arising from the same configuration. This makes it possible to evaluate the relativistic ener- gies of all states belonging to the configurations of interest in this paper. These in turn serve to reevaluate more correctly recently obtained correlation energies for the same states.

(*) C. E. A., Centre de Limeil, B. P. 27, 94-ViIleneuve-St-Georges.

(**) C. E. C. A. M., Faculté des Sciences, 91-Orsay.

(***) Service de Chimie Physique Moléculaire, Université Libre de Bruxelles, 1050-Bruxelles (Belgique).

Article published online by EDP Sciences and available at http://dx.doi.org/10.1051/jphyscol:1970433

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