Parametric CI+MBPT calculations of Th I energies and g-factors for even states

Savukov, I. M.

doi:10.1088/1361-6455/aa8017

Title: Parametric CI+MBPT calculations of Th I energies and g-factors for even states

Journal Article · 28 July 2017 · Journal of Physics. B, Atomic, Molecular and Optical Physics

DOI: https://doi.org/10.1088/1361-6455/aa8017 · OSTI ID:1458954

^[1]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)

In this study, we study energies and g-factors for a large number of levels of Th I. We found that the accuracy of configuration-interaction many-body perturbation theory can be substantially improved by using multiple adjustment parameters, which are introduced to regulate the second-order MBPT corrections for single-valence energies and Coulomb interaction. The results for energies and g-factors are in excellent agreement with experiment, with accuracy sufficient to positively assign theoretical states of given angular momentum and parity to experimental levels. Finally, this theory will be further developed in the future to treat other, even more complicated, actinides such as U I.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States)

Sponsoring Organization:: USDOE

Grant/Contract Number:: AC52-06NA25396

OSTI ID:: 1458954

Report Number(s):: LA-UR-17-21886; TRN: US1901535

Journal Information:: Journal of Physics. B, Atomic, Molecular and Optical Physics, Vol. 50, Issue 16; ISSN 0953-4075

Publisher:: IOP PublishingCopyright Statement

Country of Publication:: United States

Language:: English

References (11)

Nuclear laser spectroscopy of the 3.5 eV transition in Th-229 Peik, E.; Tamm, Chr Europhysics Letters (EPL), Vol. 61, Issue 2 https://doi.org/10.1209/epl/i2003-00210-x	journal	January 2003
THE SPECTRUM OF THORIUM FROM 250 nm TO 5500 nm: RITZ WAVELENGTHS AND OPTIMIZED ENERGY LEVELS Redman, Stephen L.; Nave, Gillian; Sansonetti, Craig J. The Astrophysical Journal Supplement Series, Vol. 211, Issue 1 https://doi.org/10.1088/0067-0049/211/1/4	journal	February 2014
Configuration-interaction many-body-perturbation-theory energy levels of four-valent Si i Savukov, I. M. Physical Review A, Vol. 91, Issue 2 https://doi.org/10.1103/PhysRevA.91.022514	journal	February 2015
Calculation of isotope shifts and relativistic shifts in C I, C II, C III, and C IV Berengut, J. C.; Flambaum, V. V.; Kozlov, M. G. Physical Review A, Vol. 73, Issue 1 https://doi.org/10.1103/PhysRevA.73.012504	journal	January 2006
Calculation of the energy levels of Ge, Sn, Pb, and their ions in the V N − 4 approximation Dzuba, V. A. Physical Review A, Vol. 71, Issue 6 https://doi.org/10.1103/PhysRevA.71.062501	journal	June 2005
Relativistic all-order calculations of Th, Th + , and Th 2 + atomic properties Safronova, M. S.; Safronova, U. I.; Clark, Charles W. Physical Review A, Vol. 90, Issue 3 https://doi.org/10.1103/PhysRevA.90.032512	journal	September 2014
On the spectrum of Th III Racah, Giulio Physica, Vol. 16, Issue 7-8 https://doi.org/10.1016/0031-8914(50)90108-X	journal	July 1950
On the use of the Cowan’s code for atomic structure calculations in singly ionized lanthanides Quinet, P.; Palmeri, P.; Biémont, E. Journal of Quantitative Spectroscopy and Radiative Transfer, Vol. 62, Issue 5 https://doi.org/10.1016/S0022-4073(98)00127-7	journal	July 1999
Calculation of parity non-conservation in thallium Dzuba, V. A.; Flambaum, V. V.; Silvestrov, P. G. Journal of Physics B: Atomic and Molecular Physics, Vol. 20, Issue 14 https://doi.org/10.1088/0022-3700/20/14/005	journal	July 1987
Summation of the perturbation theory high order contributions to the correlation correction for the energy levels of the caesium atom Dzuba, V. A.; Flambaum, V. V.; Sushkov, O. P. Physics Letters A, Vol. 140, Issue 9 https://doi.org/10.1016/0375-9601(89)90129-1	journal	October 1989
Combination of the many-body perturbation theory with the configuration-interaction method Dzuba, V. A.; Flambaum, V. V.; Kozlov, M. G. Physical Review A, Vol. 54, Issue 5 https://doi.org/10.1103/PhysRevA.54.3948	journal	November 1996

Cited By (3)

CI+MBPT calculations of Ar I energies, g factors, and transition line strengths Savukov, I. M. Journal of Physics B: Atomic, Molecular and Optical Physics, Vol. 51, Issue 6 https://doi.org/10.1088/1361-6455/aaac0d	journal	March 2018
Cowan Code: 50 Years of Growing Impact on Atomic Physics Kramida, Alexander Atoms, Vol. 7, Issue 3 https://doi.org/10.3390/atoms7030064	journal	July 2019
Relativistic configuration-interaction calculations of U I hyperfine constants Savukov, Igor M. arXiv https://doi.org/10.48550/arxiv.2008.01675	text	January 2020