Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes

Savukov, Igor Mykhaylovich; Safronova, U. I.; Safronova, M. S.

doi:10.1103/PhysRevA.92.052516

Title: Relativistic configuration interaction plus linearized-coupled-cluster calculations of $U^{2 +}$ energies, $g$ factors, transition rates, and lifetimes

Abstract

In this study, excitation energies, term designations, g factors, transition rates, and lifetimes of U²⁺ are determined using a relativistic configuration interaction (CI) + linearized-coupled-cluster (LCC) approach. The CI-LCC energies are compared with CI + many-body-perturbation-theory (MBPT) and available experimental energies. Close agreement has been found with experiment, within hundreds of cm^-1. In addition, lifetimes of higher levels have been calculated for comparison with three experimentally measured lifetimes, and close agreement has been found within the experimental error. CI-LCC calculations constitute a benchmark test of the CI + all-order method in complex relativistic systems such as actinides and their ions with many valence electrons. The theory yields many energy levels, g factors, transition rates, and lifetimes of U²⁺ that are not available from experiment. Lastly, the theory can be applied to other multivalence atoms and ions, which would be of interest to many applications.

Authors:

^[1]; Safronova, U. I. ^[2]; Safronova, M. S. ^[3]

Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Univ. of Nevada, Reno, NV (United States)
Univ. of Delaware, Newark, DE (United States); Univ. of Maryland, College Park, MD (United States)

Publication Date:: Mon Nov 23 00:00:00 EST 2015

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

Sponsoring Org.:: USDOE

OSTI Identifier:: 1457249

Alternate Identifier(s):: OSTI ID: 1226863

Report Number(s):: LA-UR-15-25008
Journal ID: ISSN 1050-2947; PLRAAN; TRN: US1901332

Grant/Contract Number:: AC52-06NA25396

Resource Type:: Accepted Manuscript

Journal Name:: Physical Review A - Atomic, Molecular, and Optical Physics

Additional Journal Information:: Journal Volume: 92; Journal Issue: 5; Journal ID: ISSN 1050-2947

Publisher:: American Physical Society (APS)

Country of Publication:: United States

Language:: English

Subject:: 74 ATOMIC AND MOLECULAR PHYSICS; U III; CI-All-order theory; energy levels; lifetimes

Citation Formats


                    Savukov, Igor Mykhaylovich, Safronova, U. I., and Safronova, M. S. Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes.  United States: N. p., 2015. 
Web.  doi:10.1103/PhysRevA.92.052516.

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                    Savukov, Igor Mykhaylovich, Safronova, U. I., & Safronova, M. S. Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes.  United States.  https://doi.org/10.1103/PhysRevA.92.052516

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                    Savukov, Igor Mykhaylovich, Safronova, U. I., and Safronova, M. S. Mon .  
"Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes".  United States.  https://doi.org/10.1103/PhysRevA.92.052516.  https://www.osti.gov/servlets/purl/1457249.

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@article{osti_1457249,

  title        = {Relativistic configuration interaction plus linearized-coupled-cluster calculations of U2+ energies, g factors, transition rates, and lifetimes},

  author       = {Savukov, Igor Mykhaylovich and Safronova, U. I. and Safronova, M. S.},

  abstractNote = {In this study, excitation energies, term designations, g factors, transition rates, and lifetimes of U2+ are determined using a relativistic configuration interaction (CI) + linearized-coupled-cluster (LCC) approach. The CI-LCC energies are compared with CI + many-body-perturbation-theory (MBPT) and available experimental energies. Close agreement has been found with experiment, within hundreds of cm-1. In addition, lifetimes of higher levels have been calculated for comparison with three experimentally measured lifetimes, and close agreement has been found within the experimental error. CI-LCC calculations constitute a benchmark test of the CI + all-order method in complex relativistic systems such as actinides and their ions with many valence electrons. The theory yields many energy levels, g factors, transition rates, and lifetimes of U2+ that are not available from experiment. Lastly, the theory can be applied to other multivalence atoms and ions, which would be of interest to many applications.},

  doi          = {10.1103/PhysRevA.92.052516},

  journal      = {Physical Review A - Atomic, Molecular, and Optical Physics},

  number       = 5,

  volume       = 92,

  place        = {United States},

  year         = {Mon Nov 23 00:00:00 EST 2015},

  month        = {Mon Nov 23 00:00:00 EST 2015}

}

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Works referencing / citing this record:

Relativistic all-order many-body calculation of energies, wavelengths, and $M 1$ and $E 2$ transition rates for the $3 d^{n}$ configurations in tungsten ions
journal, January 2018

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Physical Review A, Vol. 97, Issue 1
DOI: 10.1103/physreva.97.012502

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Title: Relativistic configuration interaction plus linearized-coupled-cluster calculations of U 2 + energies, g factors, transition rates, and lifetimes

Abstract

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