arXiv subjects
Publications and source records attributed to I. I. Tupitsyn.
The screened QED corrections to the g factor of Li-like ions are evaluated utilizing an effective potential approach. The evaluation is performed within the range of nuclear charge numbers Z=32-92. The results obtained serve for improving the theoretical predictions for the g factor of heavy Li-like ions.
The one-electron quantum-electrodynamic corrections to the magnetic-dipole transition amplitude between the fine-structure levels (1s^2 2s^2 2p) ^2P_3/2 - ^2P_1/2 in boronlike ions are calculated to all orders in (αZ). The results obtained serve for improving the theoretical accuracy of the lifetime of the (1s^2 2s^2 2p) ^2P_3/2 level in boronlike argon.
The magnetic-dipole transition probabilities between the fine-structure levels (1s^2 2s^2 2p) ^2P_1/2 - ^2P_3/2 for B-like ions and (1s^2 2s 2p) ^3P_1 - ^3P_2 for Be-like ions are calculated. The configuration-interaction method in the Dirac-Fock-Sturm basis is employed for the evaluation of the interelectronic-interaction correction with negative-continuum spectrum being taken into account. The 1/Z interelectronic-interaction contribution is derived within a rigorous QED approach employing the two-time Green function method. The one-electron QED correction is evaluated within framework of the anomalous magnetic-moment approximation. A comparison with the theoretical results of other authors and with available experimental data is presented.
Accurate calculations of the binding energies, the hyperfine splitting, the bound-electron g-factor, and the parity nonconservation effects in heavy few-electron ions are considered. The calculations include the relativistic, quantum electrodynamic (QED), electron-correlation, and nuclear effects. The theoretical results are compared with available experimental data. A special attention is focused on tests of QED in a strong Coulomb field.
The complete gauge-invariant set of the one-loop QED corrections to the parity-nonconserving (PNC) amplitude in cesium and francium is evaluated to all orders in $αZ$ using a local form of the Dirac-Fock potential. The calculations are performed in both length and velocity gauges for the absorbed photon and the total binding QED correction is found to be $-$0.27(3)% for Cs and $-$0.28(5)% for Fr. Moreover, a high-precision calculation of the electron-correlation and Breit-interaction effects on the 7$s-8s$ PNC amplitude in francium using a large-scale configuration-interaction Dirac-Fock method is performed. The obtained results are employed to improve the theoretical predictions for the PNC transition amplitude in Cs and Fr. Using an average value from two most accurate measurements of the vector transition polarizability, the weak charge of $^{133}$Cs is derived to amount to $ Q_W=-72.65(29)_{\rm exp}(36)_{\rm theor}$. This value deviates by $1.1σ$ from the prediction of the standard model. The values of the $7s$-$8s$ PNC amplitude in $^{223}$Fr and $^{210}$Fr are obtained to be $-$15.49(15) and $-$14.16(14), respectively, in units of i$\times 10^{-11}(-Q_W)/N$ a.u.
The Generalized Relativistic Effective Core Potential (GRECP) method is described which allows one to simulate Breit interaction and finite nuclear models by an economic way and with high accuracy. The corresponding GRECPs for the uranium, plutonium, eka-mercury (E112), eka-thallium (E113) and eka-lead (E114) atoms are generated. The accuracy of these GRECPs and of the RECPs of other groups is estimated in atomic numerical SCF calculations with Coulomb two-electron interactions and point nucleus as compared to the corresponding all-electron Hartree-Fock-Dirac-Breit calculations with the Fermi nuclear charge distribution. Different nuclear models and contributions of the Breit interaction between different shells are studied employing all-electron four-component methods.
The hyperfine splitting in hydrogenlike $^{209}$Bi, $^{203}$Tl, and $^{205}$Tl is calculated with the nuclear magnetization determined from experimental data on the hyperfine splitting in the corresponding muonic atoms. The single-particle and configuration-mixing nuclear models are considered. The QED corrections are taken into account for both electronic and muonic atoms. The obtained results are compared with other calculations and with experiment.
The complete gauge-invariant set of the one-loop QED corrections to the parity-nonconserving 6s-7s amplitude in $^{133}$Cs is evaluated to all orders in $αZ$ using a local version of the Dirac-Hartree-Fock potential. The calculations are peformed in both length and velocity gauges for the absorbed photon. The total binding QED correction is found to be -0.27(3)%, which differs from previous evaluations of this effect. The weak charge of $^{133}$Cs, derived using two most accurate values of the vector transition polarizability $β$, is $Q_W=-72.57(46)$ for $β= 26.957(51) a_{\rm B}^3$ and $Q_W=-73.09(54)$ for $β= 27.15(11)a_{\rm B}^3 $. The first value deviates by $1.1σ$ from the prediction of the Standard Model, while the second one is in perfect agreement with it.
Calculations of various corrections to the g factor of Li-like ions are presented, which result in a significant improvement of the theoretical accuracy in the region Z = 6-92. The configuration-interaction Dirac-Fock method is employed for the evaluation of the interelectronic-interaction correction of order 1/Z^2 and higher. This correction is combined with the 1/Z interelectronic-interaction term derived within a rigorous QED approach. The one-electron QED corrections of first in αare calculated to all orders in the parameter αZ. The screening of QED corrections is taken into account to the leading orders in αZ and 1/Z.
The incorporation of the Breit interaction in atomic and molecular calculations is discussed in the framework of four-component all-electron and two-component relativistic effective core potential (RECP)formalisms. Contributions of the Breit interaction between different core and valence shells are studied in the Dirac-Fock approximation for the uranium, plutonium, ekathallium (Z=113), ekalead (Z=114) and other heavy atoms. It is shown that the two-electron Breit effects between the valence electrons can be neglected for "chemical accuracy" (1 kcal/mol) of calculation of spectroscopic properties of systems containing superheavy elements and actinides whereas large core-core and core-valence Breit contributions can be efficiently described by one-electron RECP operators. Different versions of the generalized RECPs with the Breit interaction taken into account are constructed for uranium and plutonium and tested in comparison with the corresponding all-electron four-component calculations.
A new approach to finite basis sets for the Dirac equation is developed. It solves the problem of spurious states and, as a result, improves the convergence properties of basis set calculations. The efficiency of the method is demonstrated for finite basis sets constructed from B splines by calculating the one-loop self-energy correction for a hydrogenlike ion.
The isotope shifts of forbidden transitions in Be- and B-like argon ions are calculated. It is shown that only using the relativistic recoil operator can provide a proper evaluation of the mass isotope shift, which strongly dominates over the field isotope shift for the ions under consideration. Comparing the isotope shifts calculated with the current experimental uncertainties indicates very good perspectives for a first test of the relativistic theory of the recoil effect in middle-Z ions.
We calculated the parity nonconserving (PNC) 6s -> 7s amplitude in Cs. In the Dirac-Coulomb approximation our result is in a good agreement with other calculations. Breit corrections to the PNC amplitude and to the Stark-induced amplitude $β$ are found to be -0.4% and -1% respectively. The weak charge of $^{133}$Cs is $Q_W=-72.5 \pm 0.7$ in agreement with the standard model.
In this letter we discuss how to include Breit interaction in calculations of low-energy properties of heavy atoms in accurate and effective way. In order to illustrate our approach we give some results for Cs and Tl.
The ground state hyperfine splitting values and the transition probabilities between the hyperfine structure components of high Z lithiumlike ions are calculated in the range $Z=49-83$. The relativistic, nuclear, QED and interelectronic interaction corrections are taken into account. It is found that the Bohr-Weisskopf effect can be eliminated in a combination of the hyperfine splitting values of the hydrogenlike and lithiumlike ions of an isotope. This gives a possibility for testing the QED effects in a combination of the strong electric and magnetic fields of the heavy nucleus. Using the experimental result for the $1s$ hyperfine splitting in ^{209}Bi^{82+}, the 2s hyperfine splitting in ^{209}Bi^{80+} is calculated to be ΔE=0.7969(2) eV.