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U. I. Safronova

Publications and source records attributed to U. I. Safronova.

53 records · Page 3Linked to original sources
arXiv2006

Excitation energies, polarizabilities, multipole transition rates, and lifetimes in Th IV

Excitation energies of the ns_{1/2} (n=7-10), np_j (n=7-9), nd_j (n=6-8), nf_{j} (n=5-7), and ng_{j} (n=5-6) states in Th IV are evaluated. First-, second-, third-, and all-order Coulomb energies and first- and second-order Coulomb-Breit energies are calculated. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the 96 possible nl_j-n'l'_j' electric-dipole transitions. Multipole matrix elements (7s_{1/2}-6d_j, 7s_{1/2}-5f_j, and 5f_{5/2}-5f_{7/2}) are evaluated to obtain the lifetimes of the $5f_{7/2}$ and 7s_{1/2}$ states. Matrix elements are calculated using both relativistic many-body perturbation theory, complete through third order, and a relativistic all-order method restricted to single and double (SD) excitations. Scalar and tensor polarizabilities for the 5f_{5/2} ground state in Th3+ are calculated using relativistic third-order and all-order methods. These calculations provide a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2006

High-accuracy calculation of black-body radiation shift in $^{133}$Cs primary frequency standard

Black-body radiation (BBR) shift is an important systematic correction for the atomic frequency standards realizing the SI unit of time. Presently, there is a controversy over the value of the BBR shift for the primary $^{133}$Cs standard. At room temperatures the values from various groups differ at $3 \times 10^{-15}$ level, while the modern clocks are aiming at $10^{-16}$ accuracies. We carry out high-precision relativistic many-body calculations of the BBR shift. For the BBR coefficient $β$ at $T=300K$ we obtain $β=-(1.708\pm0.006) \times 10^{-14}$, implying $6 \times 10^{-17}$ fractional uncertainty. While in accord with the most accurate measurement, our 0.35%-accurate value is in a substantial, 10%, disagreement with recent semi-empirical calculations. We identify an oversight in those calculations.

physics.atom-ph↗
arXiv2006

Multipole (E1, M1, E2, M2, E3, M3) transition wavelengths and rates between 3l5l' excited and ground states in nickel-like ions

A relativistic many-body method is developed to calculate energy and transition rates for multipole transitions in many-electron ions. This method is based on relativistic many-body perturbation theory (RMBPT), agrees with MCDF calculations in lowest-order, includes all second-order correlation corrections and includes corrections from negative energy states. Reduced matrix elements, oscillator strengths, and transition rates are calculated for electric-multipole (dipole (E1), quadrupole (E2), and octupole (E3)) and magnetic-multipole (dipole (M1), quadrupole (M2), and octupole (M3)) transitions between 3l5l' excited and ground states in Ni-like ions with nuclear charges ranging from Z = 30 to 100. The calculations start from a 1s22s22p63s23p63d10} Dirac-Fock potential. First-order perturbation theory is used to obtain intermediate-coupling coefficients, and second-order RMBPT is used to determine the matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for nickellike tungsten (Z = 74). The contributions from negative-energy states are included in the second-order E1, M1, E2 M2, E3, and M3 matrix elements. The resulting transition energies and transition rates are compared with experimental values and with results from other recent calculations. These atomic data are important in modeling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas.

physics.atom-ph↗
arXiv2004

Excitation energies, hyperfine constants, E1, E2, M1 transition rates, and lifetimes of (6s2)nl states in Tl I and Pb II

Energies of np (n=6-9), ns (n=7-9), nd (n=6-8), and nf (n=5-6) states in Tl I and Pb II are obtained using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates, and lifetimes are determined for the 72 possible electric-dipole transitions. Electric-quadrupole and magnetic-dipole matrix elements are evaluated to obtain np(3/2) - mp(1/2) (n,m=6,7) transition rates. Hyperfine constants A are evaluated for a number of states in 205Tl. First-, second-, third-, and all-order corrections to the energies and matrix elements and first- and second-order Breit corrections to energies are calculated. In our implementation of the all-order method, single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. These calculations provide a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2004

Excitation energies, oscillator strengths, and lifetimes of levels along the gold isoelectronic sequence

Energies of ns[1/2] (n= 6-9), np[j] (n = 6-8), nd[j] (n= 6-7), and 5f[j] states in neutral Au and Au-like ions with nuclear charges Z = 80 - 83 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are determined for the 30 possible nl[j]-n'l'[j'] electric-dipole transitions. Results for a limited number states ns[1/2], np[j] (n= 6-7) and 6d[j] are obtained in the relativistic single-double (SD) approximation, where single and double excitations of Dirac-Fock wave functions are included to all orders in perturbation theory. Using SD wave functions, accurate values are obtained for energies of the eight lowest states and for the fourteen possible electric-dipole matrix elements between these states. With the aid of the SD wave functions, we also determine transition rates and oscillator strengths for the fourteen transitions together with lifetimes of 6p[j], 7p[j], and 6d[j] levels. We investigate the hyperfine structure in HgII and TlIII. The hyperfine A-values are determined for 6s[1/2] and 6p[j] states in 199Hg+, 201Hg+, and 205Tl++ isotopes. These calculations provide a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2003

Energy levels and lifetimes of Nd IV, Pm IV, Sm IV, and Eu IV

To address the shortage of experimental data for electron spectra of triply-ionized rare earth elements we have calculated energy levels and lifetimes of 4f{n+1} and 4f{n}5d configurations of Nd IV (n=2), Pm IV (n=3), Sm IV (n=4), and Eu IV (n=5) using Hartree-Fock and configuration interaction methods. To control the accuracy of our calculations we also performed similar calculations for Pr III, Nd III and Sm III, for which experimental data are available. The results are important, in particular, for physics of magnetic garnets.

hep-ph↗
arXiv2003

Third-order relativistic many-body calculations of energies and lifetimes of levels along the silver isoelectronic sequence

Energies of 5l_j (l= s, p, d, f, g) and 4f_j states in neutral Ag and Ag-like ions with nuclear charges Z = 48 - 100 are calculated using relativistic many-body perturbation theory. Reduced matrix elements, oscillator strengths, transition rates and lifetimes are calculated for the 17 possible 5l_j-5l'_{j'} and 4f_j-5l_{j'} electric-dipole transitions. Third-order corrections to energies and dipole matrix elements are included for neutral Ag and for ions with Z<61. Second-order corrections are included for Z>60. Comparisons are made with available experimental data for transition energies and lifetimes. Correlation energies and transition rates are shown graphically as functions of nuclear charge Z for selected cases. These calculations provide a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2003

Relativistic many-body calculations of excitation energies and transition rates from core-excited states in copperlike ions

Energies of (3s2 3p6 3d9 4l4l'), (3s2 3p5 3d10 4l4l'), and (3s 3p6 3d10 4l4l') states for Cu-like ions with Z = 30 -100 are evaluated to second order in relativistic many-body perturbation theory (RMBPT) starting from a Ni-like Dirac-Fock potential. Second-order Coulomb and Breit-Coulomb interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Transition rates and line strengths are calculated for the 3l-4l' electric-dipole (E1) transitions in Cu-like ions with nuclear charge Z = 30 - 100. RMBPT including the Breit interaction is used to evaluate retarded E1 matrix elements in length and velocity forms. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the various contributions to the dipole matrix elements and energy levels is given for copperlike tungsten (Z = 74). The transition energies used in the calculation of oscillator strengths and transition rates are from second-order RMBPT. Trends of the transition rates as functions of $Z$ are illustrated graphically for selected transitions. Comparisons are made with available experimental data. These atomic data are important in modeling of M-shell radiation spectra of heavy ions generated in electron beam ion trap experiments and in M-shell diagnostics of plasmas.

physics.atom-ph↗
arXiv2003

Combined effect of coherent Z exchange and the hyperfine interaction in atomic PNC

The nuclear spin-dependent parity nonconserving (PNC) interaction arising from a combination of the hyperfine interaction and the coherent, spin-independent, PNC interaction from Z exchange is evaluated using many-body perturbation theory. For the 6s-7s transition in 133Cs, we obtain a result that is about 40% smaller than that found previously by Bouchiat and Piketty [Phys. Lett. B 269, 195 (1991)]. Applying this result to 133Cs, leads to an increase in the experimental value of nuclear anapole moment and exacerbates differences between constraints on PNC meson coupling constants obtained from the Cs anapole moment and those obtained from other nuclear parity violating experiments. Nuclear spin-dependent PNC dipole matrix elements, including contributions from the combined weak-hyperfine interaction, are also given for the 7s-8s transition in 211Fr and for transitions between ground-state hyperfine levels in K, Rb, Cs, Ba+, Au, Tl, Fr, and Ra+.

hep-ph↗
arXiv2002

Energies, transition rates, and electron electric dipole moment enhancement factors for Ce IV and Pr V

Energies, transition rates, and electron electric dipole moment (EDM) enhancement factors are calculated for low-lying states of Ce IV and Pr V using relativistic many-body perturbation theory. This study is related to recent investigations of the more complicated Gd IV ion, which is promising for electron EDM experiments. The ions Ce IV and Pr V both have a single valence electron, permitting one to carry out reliable ab-initio calculations of energy levels, transition rates and other atomic properties using well developed computational methods.

physics.atom-ph↗
arXiv2002

Relativistic many-body calculations of transition rates from core-excited states in sodiumlike ions

Rates and line strengths are calculated for the 2s22p53l3l' - 2s22p63l'' and 2s2p63l3l' - 2s22p63l'' electric-dipole (E1) transitions in Na-like ions with nuclear charges ranging from Z = 14 to 100. Relativistic many-body perturbation theory (RMBPT), including the Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a 1s22s22p6 Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients and second-order RMBPT is used to calculate transition matrix elements. A detailed discussion of the various contributions to dipole matrix elements is given for sodiumlike copper (Z = 29). Transition energies used in the calculation of transition rates are from second-order RMBPT. Trends of transition rates as functions of Z are shown graphically for selected transitions.

physics.atom-ph↗
arXiv2002

Energy levels and lifetimes of Gd IV and enhancement of the electron dipole moment

We have calculated energy levels and lifetimes of 4f7 and 4f6 5d configurations of Gd IV using Hartree-Fock and configuration interaction methods. This allows us to reduce significantly the uncertainty of the theoretical determination of the electron electric dipole moment (EDM) enhancement factor in this ion and, correspondingly, in gadolinium-containing garnets for which such measurements were recently proposed. Our new value for the EDM enhancement factor of Gd+3 is -2.2 +- 0.5. Calculations of energy levels and lifetimes for Eu~III are used to control the accuracy.

physics.atom-ph↗
arXiv2002

Relativistic many-body calculations of energies for core-excited states in sodiumlike ions

Energies of (2s2 2p5 3l3l') and (2s 2p6 3l3l') states for sodiumlike ions with Z =14--100 are evaluated to second order in relativistic many-body perturbation theory starting from a neonlike Dirac-Fock potential. Second-order Coulomb and Breit interactions are included. Correction for the frequency-dependence of the Breit interaction is taken into account in lowest order. The Lamb shift correction to energies is also included in lowest order. Intrinsic particle-particle-hole contributions to energies are found to be 20-30% of the sum of one- and two-body contributions. Comparisons are made with available experimental data. These calculations are presented as a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2002

Relativistic many-body calculations of excitation energies and transition rates in ytterbium-like ions

Excitation energies, oscillator strengths, and transition rates are calculated for (5d2+5d6s+6s2)--(5d6p+5d5f+6s6p) electric dipole transitions in Yb-like ions with nuclear charges Z ranging from 72 to 100. Relativistic many-body perturbation theory (RMBPT), including the retarded Breit interaction, is used to evaluate retarded E1 matrix elements in length and velocity forms. The calculations start from a [Xe]4f14 core Dirac-Fock potential. First-order RMBPT is used to obtain intermediate coupling coefficients, and second-order RMBPT is used to determine matrix elements. A detailed discussion of the various contributions to energy levels and dipole matrix elements is given for ytterbium like rhenium, Z=75. The resulting transition energies are compared with experimental values and with results from other recent calculations. Trends of excitation energies, line strengths, oscillator strengths, and transition rates as functions of nuclear charge Z are shown graphically for selected states and transitions. These calculations are presented as a theoretical benchmark for comparison with experiment and theory.

physics.atom-ph↗
arXiv2002

Multipole (E1, M1, E2, M2) transition wavelengths and rates between states with n<= 6 in heliumlike carbon, nitrogen, oxygen, neon, silicon, and argon

Transition wavelengths and rates are given for E1, E2, M1, and M2 transitions between singlet and triplet S, P, D, and F states in heliumlike ions of astrophysical interest: carbon, nitrogen, oxygen, neon, silicon, and argon. All possible transitions between states with n <= 6 are considered. Wave functions and energies are calculated using the relativistic configuration-interaction (CI) method including both Coulomb and Breit interactions. For transitions to the ground state, the present theoretical wavelengths agree to five digits with precise measurements.

astro-ph↗
arXiv2002

E1 transitions between states with n = 1 to 6 in helium-like carbon, nitrogen, oxygen, neon, silicon, and argon

Wavelengths and transition rates are given for E1 transitions between singlet S, P, D, and F states, between triplet S, P, and D states, and between triplet P and singlet S states in ions of astrophysical interest: helium-like carbon, nitrogen, oxygen, neon, silicon, and argon. All possible E1 transitions between states with J < 4 and n < 7 are considered. Energy levels and wave functions used in calculations of the transition rates are obtained from relativistic configuration-interaction calculations that include both Coulomb and Breit interactions.

astro-ph↗