Large-scale multiconfigurational Dirac-Fock calculations of the hyperfine-structure constants and determination of the nuclear quadrupole moment of {sup 49}Ti
- Instytut Fizyki imienia Mariana Smoluchowskiego, Uniwersytet Jagiellonski, Reymonta 4, 30-059 Krakow (Poland)
- Department of Computer Science, Vanderbilt University, Nashville, Tennessee 37235 (United States)
- Mathematical Institute, University of Oxford, 24-29 St. Giles, Oxford OX1 3LB (United Kingdom)
The multiconfiguration Dirac-Fock (MCDF) model is employed to compute the hyperfine interaction constants of the 3d{sup 2}4s {sup 2}D{sub 3/2}, 3d{sup 2}4s {sup 2}D{sub 5/2}, 3d{sup 3} {sup 2}G{sub 7/2}, 3d{sup 3} {sup 2}G{sub 9/2}, and 3d{sup 3} {sup 2}P{sub 3/2} levels of titanium ion. The wave function expansions are obtained with the active space expansion method, where configuration state functions of a specific parity and {ital J} value are generated by substitutions from the reference configurations to an active set of orbitals. The active set is then increased in a systematic way, allowing the convergence of the expectation values to be achieved. The calculated electric quadrupole hyperfine constants are used to evaluate the nuclear electric quadrupole moment of isotope 49 of titanium, for which the value Q=0.247(11)b is found. {copyright} {ital 1999} {ital The American Physical Society}
- OSTI ID:
- 341374
- Journal Information:
- Physical Review A, Vol. 59, Issue 6; Other Information: PBD: Jun 1999
- Country of Publication:
- United States
- Language:
- English
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