Group theoretic prediction of configuration mixing effects due to Coulomb repulsions in atoms with applications to doubly-excited spectra

A group theoretical method which predicts Coulomb repulsion mixing coefficients of doubly−excited atomic states is presented. Good agreement with calculated mixings in helium is found. Two new quantum numbers and three rules classify and predict the energy level orderings. The exact mathematical con...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:J. Chem. Phys., v. 62, no. 3, pp. 886-892 v. 62, no. 3, pp. 886-892, 1975-02, Vol.62 (3), p.886-892
Hauptverfasser: Sinanoğlu, Oktay, Herrick, David R.
Format: Artikel
Sprache:eng
Schlagworte:
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
Beschreibung
Zusammenfassung:A group theoretical method which predicts Coulomb repulsion mixing coefficients of doubly−excited atomic states is presented. Good agreement with calculated mixings in helium is found. Two new quantum numbers and three rules classify and predict the energy level orderings. The exact mathematical construction of 1/r12 in the group theoretical configuration−mixed basis is given. It leads naturally to a formulation of the corresponding many−electron problem of configurational mixings.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.430540