Multiconfiguration Hartree-Fock calculations for singlet terms in neutral strontium

Journal Article · Thu Sep 15 04:00:00 EDT 1988 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.38.2830· OSTI ID:6919248

Vaeck, N; Godefroid, M; Hansen, J E

Multiconfiguration Hartree-Fock (MCHF) calculations are presented for singlet terms in neutral strontium (Sr I) belonging to (perturbed) sp, sd, and sf Rydberg series. We discuss briefly some particularly difficult MCHF calculations and the steps taken to overcome the difficulties. The ab initio wave functions are used to calculate radiative lifetimes as well as individual transition rates for electric dipole and quadrupole radiation. The calculated lifetimes are compared to recent experimental results. The observed trends are well reproduced by the calculations. We compare our wave functions with wave functions obtained from multichannel quantum-defect theory (MQDT) in either of two different ways. One is based on semiempirical fitting to the observed energy levels and the other on a recent ab initio R-matrix calculation of MQDT parameters. We find good agreement with the wave functions obtained in the latter calculation, confirming earlier conjectures about the degree of reliability of semiempirical MQDT fits to perturbed Rydberg series (C. Froese Fischer and J. E. Hansen, Phys. Rev. A 24, 631 (1981)).

• Research Organization: Laboratoire de Chimie Physique Moleculaire, Universite Libre de Bruxelles (Code Postal 160), B-1050 Bruxelles, Belgium
• OSTI ID: 6919248
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 38:6; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640302* -- Atomic
Molecular & Chemical Physics-- Atomic & Molecular Properties & Theory
74 ATOMIC AND MOLECULAR PHYSICS
ALKALINE EARTH METALS
ATOMS
CLASSIFICATION
CORRELATIONS
E1-TRANSITIONS
E2-TRANSITIONS
ELECTRONIC STRUCTURE
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
LIFETIME
METALS
MULTIPOLE TRANSITIONS
QUANTUM NUMBERS
STRONTIUM