High-accuracy Complete Active Space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine structure constants of the gold atom - Archive ouverte HAL Accéder directement au contenu
Article Dans Une Revue Physical Review A : Atomic, molecular, and optical physics Année : 2009

High-accuracy Complete Active Space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine structure constants of the gold atom

(1) , (2) , (3) , (4) , (5)
1
2
3
4
5

Résumé

The multiconfiguration Dirac-Hartree-Fock (MCDHF) model has been employed to calculate the expectation values for the hyperfine splittings of the 5d96s2 2D3/2 and 5d96s2 2D5/2 levels of atomic gold. One-, two-, and three-body electron correlation effects involving all 79 electrons have been included in a systematic manner. The approximation employed in this study is equivalent to a Complete Active Space (CAS) approach. Calculated electric field gradients, together with experimental values of the electric quadrupole hyperfine structure constants, allow us to extract a nuclear electric quadrupole moment Q(197Au)=521.5(5.0) mb.
Fichier principal
Vignette du fichier
xet.pdf (228.31 Ko) Télécharger le fichier
Origine : Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-00363981 , version 1 (24-02-2009)
hal-00363981 , version 2 (06-04-2009)

Identifiants

Citer

Jacek Bierón, Charlotte Froese Fischer, Paul Indelicato, Per Jönsson, Pekka Pyykkö. High-accuracy Complete Active Space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine structure constants of the gold atom. Physical Review A : Atomic, molecular, and optical physics, 2009, 79 (5), pp.052502. ⟨10.1103/PhysRevA.79.052502⟩. ⟨hal-00363981v2⟩
170 Consultations
169 Téléchargements

Altmetric

Partager

Gmail Facebook Twitter LinkedIn More