Core-valence correlations for atoms with open shells

Dzuba, V. A.; Flambaum, V. V.

doi:10.1103/physreva.75.052504

Cited by 44 publications

(37 citation statements)

References 51 publications

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“…Note that the fitting is not exact for all the levels because the number of levels is larger than the number of fitting parameters. Transition amplitudes are found with the random-phase approximation (RPA) [33,34] …”

Section: A Ci+mbpt Methodsmentioning

confidence: 99%

Dynamic polarizabilities and related properties of clock states of the ytterbium atom

Dzuba

Derevianko

2010

J. Phys. B: At. Mol. Opt. Phys.

112

134

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We carry out relativistic many-body calculations of the static and dynamic dipole polarizabilities of the ground 6s 2 1 S0 and the first excited 6s6p 3 P o 0 states of Yb. With these polarizabilities, we compute several properties of Yb relevant to optical lattice clocks operating on the 6stransition. We determine (i) the first four magic wavelengths of the laser field for which the frequency of the clock transition is insensitive to the laser intensity. While the first magic wavelength is known, we predict the second, the third and the forth magic wavelengths to be 551 nm, 465 nm, and 413 nm.(ii) We reevaluate the effect of black-body radiation on the frequency of the clock transition, the resulting clock shift at T = 300 K being −1.41(17) Hz. (iii) We compute long-range interatomic van der Waals coefficients (in a.u.) C6(6s S0) = 3.34 and C3(6s6p 3 P0) = 3.68. We also address and resolve a disagreement between previous calculations of the static polarizability of the ground state.

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Section: A Ci+mbpt Methodsmentioning

confidence: 99%

Dynamic polarizabilities and related properties of clock states of the ytterbium atom

Dzuba

Derevianko

2010

J. Phys. B: At. Mol. Opt. Phys.

112

134

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“…More detailed discussion on the effect of valence electrons on atomic core can be found in Refs. [16,17].…”

Section: Methodsmentioning

confidence: 99%

Theoretical study of some experimentally relevant states of dysprosium

Dzuba

Flambaum

2010

Phys. Rev. A

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Configuration interaction method is used to calculate transition amplitudes and other properties of the low states of dysprosium which are used in cooling and in study of the time variation of the fine structure constant and violation of fundamental symmetries. The branching ratio for the cooling state to decay to states other than ground state is found to be smaller than 10 −4 . The matrix element of the weak interaction between degenerate states at E = 19797.96 cm −1 is about 2 Hz which is consistent with the experimental limit |HW | = |2.3 ± 2.9(statistical) ± 0.7(systematic)| Hz [A. T. Nguyen, D. Budker, D. DeMille, and M. Zolotorev, Phys. Rev. A 56, 3453 (1997)] and points to feasibility of its experimental measurement. Applications include search for physics beyond the standard model using the PNC isotopic chain approach.

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“…The coupled-cluster theory is promising [29][30][31] but investigation of hyperfine structures in more complex systems remains scarce [32]. Although further developments might be expected [33][34][35][36], the traditional multi-configuration methods combined with configuration interaction in their non relativistic [14,37,38] and relativistic [39][40][41][42][43] versions keep a respectable place in the ranking of ab initio methods for hyperfine structures calculations.…”

Section: Introductionmentioning

confidence: 99%

Relativistic effects on the hyperfine structures of2p4(3P)3p2Do,<

Carette

Nemouchi

et al. 2013

Phys. Rev. A

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The hyperfine interaction constants of the 2p 4 ( 3 P )3p 2 D o 3/2,5/2 , 4 D o 1/2−7/2 and 4 P o 1/2−5/2 levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration Hartree-Fock (MCHF) and Dirac-Hartree-Fock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the Breit-Pauli approximation using non relativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the Dirac-Coulomb Hamiltonian with correlation models inspired by the non relativistic calculations. Higher-order excitations are captured through multireference configuration interaction calculations including the Breit interaction. In a third (intermediate) approach, the Dirac-Coulomb-Breit Hamiltonian matrix is diagonalized in a relativistic configuration space built with non relativistic MCHF radial functions converted into Dirac spinors using the Pauli approximation. The magnetic dipole hyperfine structure constants calculated with the three relativistic models are consistent and reveal unexpectedly large effects of relativity for 2 D o 5/2 , 4 P o 3/2 and 4 P o 5/2 . The agreement with the few available experimental values is satisfactory. The strong J-dependence of relativistic corrections on the hyperfine constants is investigated through the detailed analysis of the orbital, spin-dipole and contact relative contributions calculated with the non relativistic magnetic dipole operator.

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Core-valence correlations for atoms with open shells

Cited by 44 publications

References 51 publications

Dynamic polarizabilities and related properties of clock states of the ytterbium atom

Dynamic polarizabilities and related properties of clock states of the ytterbium atom

Theoretical study of some experimentally relevant states of dysprosium

Relativistic effects on the hyperfine structures of2p4(3P)3p2Do,<

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