Complete-active-space multiconfiguration Dirac-Hartree-Fock calculations of hyperfine-structure constants of the gold atom

Journal Article · Fri May 15 00:00:00 EDT 2009 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.79.052502· OSTI ID:21300852

Bieron, Jacek; Froese Fischer, Charlotte; Indelicato, Paul; Joensson, Per; Pyykkoe, Pekka ^[1]

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1. Instytut Fizyki imienia Mariana Smoluchowskiego, Uniwersytet Jagiellonski, Reymonta 4, 30-059 Krakow (Poland)

The multiconfiguration Dirac-Hartree-Fock model has been employed to calculate the expectation values for the hyperfine splittings of the 5d{sup 9}6s{sup 2} {sup 2}D{sub 3/2} and 5d{sup 9}6s{sup 2} {sup 2}D{sub 5/2} 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 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({sup 197}Au)=521.5(5.0) mb.

• OSTI ID: 21300852
• Journal Information: Physical Review. A, Vol. 79, Issue 5; Other Information: DOI: 10.1103/PhysRevA.79.052502; (c) 2009 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ATOMS
CONFIGURATION INTERACTION
DIRAC EQUATION
ELECTRIC FIELDS
ELECTRON CORRELATION
ELECTRONS
GOLD
GOLD 197
HARTREE-FOCK METHOD
HYPERFINE STRUCTURE
QUADRUPOLE MOMENTS
THREE-BODY PROBLEM