Published January 1, 1991 | Version v1
Journal article

Coupled-cluster calculations of matrix elements and ionization energies of low-lying states in sodium

  • 1. Department of Physics, University of Goeteborg and Chalmers University of Technology, S-412 96 Goeteborg, Sweden (Sweden)

Description

Accurate nonrelativistic calculations of ionization energies and hyperfine structures for the 3s and the 3p states, and of the dipole transition 3s-3p, are presented for Na, using wave functions obtained in the coupled-cluster approach including single and double excitations (CCSD). Agreement with experimental results is at the percent level, corresponding to an error in the correlation contribution of approximately 5%. Certain three-body cluster contributions to the 3s ionization energy and the 3s hyperfine structure are evaluated and are found to account for the main part of the discrepancies between the values obtained from CCSD calculations and the experimental results

Additional details

Publishing Information

Journal Title
Physical Review, A
Journal Volume
43
Journal Issue
1
Series
Phys. Rev., A.
Journal Page Range
88-94
ISSN
0556-2791
CODEN
PLRAA

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
22039303
Subject category
S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
ELECTRONIC STRUCTURE; E1-TRANSITIONS; HYPERFINE STRUCTURE; IONIZATION POTENTIAL; MATRIX ELEMENTS; SODIUM; WAVE FUNCTIONS
Descriptors DEC
ALKALI METALS; ELEMENTS; ENERGY-LEVEL TRANSITIONS; FUNCTIONS; METALS; MULTIPOLE TRANSITIONS