arXiv subjects
Publications and source records attributed to V. A. Dzuba.
A finite-field scaling method is applied to evaluate the Lennard-Jones interaction constant C_3 for alkali-metal atoms. The calculations are based on the relativistic single-double (SD) approximation in which single and double excitations of Dirac-Hartree-Fock wave functions are included to all orders in perturbation theory.
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.
This work presents a method for the ab initio calculation of isotope shift in atoms and ions with one valence electron above closed shells. As a zero approximation we use relativistic Hartree-Fock and then calculate correlation corrections. The main motivation for developing the method comes from the need to analyse whether different isotope abundances in early universe can contribute to the observed anomalies in quasar absorption spectra. The current best explanation for these anomalies is the assumption that the fine structure constant, alpha, was smaller at early epoch. We test the isotope shift method by comparing the calculated and experimental isotope shift for the alkali and alkali-like atoms Na, MgII, K, CaII and BaII. The agreement is found to be good. We then calculate the isotope shift for some astronomically relevant transitions in SiII and SiIV, MgII, ZnII and GeII.
A possibility for fundamental constants to vary in time is suggested by theories unifying gravity with other interactions. In this article we examine proposals to use optical transitions of Sr, Dy, YbII and YbIII for the search of the time variation of the fine structure constant $α$. Frequencies of atomic transitions are calculated using relativistic Hartree-Fock method and configuration interaction technique. The effect of variation of $α$ on the frequencies is studied by varying $α$ in computer codes. Accuracy of measurements needed to improve current best limit on the time variation of $α$ is discussed.
Effects caused by the electron electric dipole moment (EDM) in gadolinium garnets are considered. Experimental studies of these effects could improve current upper limit on the electron EDM by several orders of magnitude. We suggest a consistent theoretical model and perform calculations of observable effects in gadolinium gallium garnet and gadolinium iron garnet. Our calculation accounts for both direct and exchange diagrams.
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.
The electric dipole moment (EDM) of a particle violates both time reversal (T) and space reflection (P) symmetries. There have been recent suggestions for searches of the electron EDM using solid state experiments [1,2]. These experiments could improve the sensitivity compared to present atomic and molecular experiments by several orders of magnitude. In the present paper we calculate the expected effect. We also suggest that this kind of experiment is sensitive to T,P-violation in nuclear forces and calculate effects caused by the nuclear Schiff moment. The compounds under consideration contain magnetic Gd$^{3+}$ ions and oxygen O$^{2-}$ ions. We demonstrate that the main mechanism for the T,P-odd effects is related to the penetration of the Oxygen 2p-electrons to the Gd core. All the effects are related to the deformation of the crystal lattice.
There have been recent suggestions for searching for the electron electric dipole moment, using solid state experiments with compounds containing Gd 3+ ions. These experiments could improve the sensitivity compared to present atomic and molecular experiments by several orders of magnitude. The analysis of the problem requires a calculation of the enhancement coefficient K for the electron electric dipole moment in the Gd 3+ ion. In this work we perform this calculation. The result is K = -4.9 +- 1.6. Limitations of the accuracy of the calculation are mainly due to the lack of data on Gd 3+ excitation spectra. We formulate which quantities have to be measured and/or calculated to improve the accuracy.
We have calculated the 6s-7s parity nonconserving (PNC) E1 transition amplitude, E_{PNC}, in cesium. We have used an improved all-order technique in the calculation of the correlations and have included all significant contributions to E_{PNC}. Our final value E_{PNC} = 0.904 (1 +/- 0.5 %) \times 10^{-11}iea_{B}(-Q_{W}/N) has half the uncertainty claimed in old calculations used for the interpretation of Cs PNC experiments. The resulting nuclear weak charge Q_{W} for Cs deviates by about 2 standard deviations from the value predicted by the standard model.
We have calculated the atomic electric dipole moments (EDMs) induced in ^{199}Hg, ^{129}Xe, ^{223}Rn, ^{225}Ra, and ^{239}Pu by their respective nuclear Schiff moments S. The results are (in units 10^{-17}S(e {fm}^{3})^{-1}e cm): d(^{199}Hg)=-2.8, d(^{129}Xe)=0.38, d(^{223}Rn)=3.3, d(^{225}Ra)=-8.5, d(^{239}Pu)=-11. We have also calculated corrections to the parity- and time-invariance-violating (P,T-odd) spin-axis interaction constant in TlF. These results are important for the interpretation of atomic and molecular experiments on EDMs in terms of fundamental P,T-odd parameters.
We performed accurate calculation of $α$-dependence ($α=e^2/hc$) of the transition frequencies for ions, which are used in a search for the variation of the fine structure constant $α$ in space-time. We use Dirac-Hartree-Fock method as a zero approximation and then the many-body perturbation theory and configuration interaction methods to improve the results. An important problem of level pseudocrossing (as functions of $α$) is considered. Near the crossing point the derivative of frequencies over $α$ varies strongly (including change of the sign). This makes it very sensitive to the position of the crossing point. We proposed a semiempirical solution of the problem which allows to obtain accurate results.
We have calculated the 6s-7s parity nonconserving E1 transition amplitude (E_{PNC}) in cesium. This calculation has been performed with higher numerical accuracy than our 1989 calculation [V.A. Dzuba, V.V. Flambaum, and O.P. Sushkov, Phys. Lett. A {\bf 141}, 147]. Also the Breit interaction has been included and the radiative corrections estimated. Our final result is E_{PNC}=0.902 (1 +/- 0.7%)iea_{B}(Q_{W}/N). This represents an improvement in the accuracy of the calculation from the 1% error claimed in 1989. This result corresponds to a nuclear weak charge for Cs, Q_{W}=-72.39 (1 +/- 0.4% (exp) +/- 0.7% (theory)). We conclude that there is no significant deviation from the Standard Model value -73.09(3).
An experimental search for variation in the fundamental coupling constants is strongly motivated by modern high-energy physics theories. Comparison of quasar absorption line spectra with laboratory spectra provides a sensitive probe for variability of the fine structure constant, alpha, over cosmological time-scales. We have previously developed and applied a new method providing an order of magnitude gain in precision over previous optical astrophysical constraints. Here we extend that work by including new quasar spectra of damped Lyman-alpha absorption systems. We also re-analyse our previous lower redshift data and confirm our initial results. The constraints on alpha come from simultaneous fitting of absorption lines of subsets of the following species: Mg I, Mg II, Al II, Al III, Si II, Cr II, Fe II, Ni II and Zn II. We present a detailed description of our methods and results based on an analysis of 49 quasar absorption systems (towards 28 QSOs) covering the redshift range 0.5 < z < 3.5. There is statistical evidence for a smaller alpha at earlier epochs: da/a = (-0.72 +/- 0.18) * 10^{-5}. The new and original samples are independent but separately yield consistent and significant non-zero values of da/a. We summarise the results of a thorough investigation of systematic effects published in a companion paper. The value we quote above is the raw value, not corrected for any of these systematic effects. The only significant systematic effects so far identified, if removed from our data, would lead to a more significant deviation of da/a from zero.
We describe the results of a search for time variability of the fine structure constant, alpha, using absorption systems in the spectra of distant quasars. Three large optical datasets and two 21cm/mm absorption systems provide four independent samples, spanning 23% to 87% of the age of the universe. Each sample yields a smaller alpha in the past and the optical sample shows a 4-sigma deviation: da/a = -0.72 +/- 0.18 x 10^{-5} over the redshift range 0.5 < z < 3.5. We find no systematic effects which can explain our results. The only potentially significant systematic effects push da/a towards positive values, i.e. our results would become more significant were we to correct for them.
Theories unifying gravity and other interactions suggest the possibility of spatial and temporal variation of physical ``constants'' in the Universe. Detection of high redshift absorption systems intersecting the sight lines towards distant quasars provide a powerful tool for measuring these variations. In the present paper we demonstrate that high sensitivity to variation of the fine structure constant alpha can be obtained by comparing cosmic and laboratory spectra of the Ni II ion. Relativistic effects in Ni II reveal many interesting features. The Ni II spectrum exhibits avoided level crossing phenomenon under variation of alpha and the intervals between the levels have strong nonlinear dependencies on relativistic corrections. The values of the transition frequency shifts, due to the change of alpha, vary significantly from state to state including change of the sign. This enhances the sensitivity to the variation of alpha and reduces possible systematic errors. The calculations of alpha-dependence of the nickel ion spectral lines that are detectable in quasar absorption spectra have been performed using a relativistic configuration interaction method.
We have performed ab initio mixed-states and sum-over-states calculations of parity nonconserving (PNC) electric dipole (E1) transition amplitudes between s-d electron states of Cs, Fr, Ba II, and Ra II. For the lower states of these atoms we have also calculated energies, E1 transition amplitudes, and lifetimes. We have shown that PNC E1 transition amplitudes between s-d states can be calculated to high accuracy. Contrary to the Cs 6s-7s transition, in these transitions there are no strong cancelations between different terms in the sum-over-states approach. In fact, there is one dominating term which deviates from the sum by less than 20%. This term corresponds to an s-p_{1/2} weak matrix element, which can be calculated to better than 1%, and a p_{1/2}-d_{3/2} E1 transition amplitude, which can be measured. Also, the s-d amplitudes are about four times larger than the corresponding s-s transitions. We have shown that by using a hybrid mixed-states/sum-over-states approach the accuracy of the calculations of PNC s-d amplitudes could compete with that of Cs 6s-7s if p_{1/2}-d_{3/2} E1 amplitudes are measured to high accuracy.
We have performed relativistic many-body calculations of the hyperfine interaction in the $6s$ and $7s$ states of Cs, including the off-diagonal matrix element. The calculations were used to determine the accuracy of the semi-empirical formula for the electromagnetic transition amplitude $<6s|M1|7s>$ induced by the hyperfine interaction. We have found that even though the contribution of the many-body effects into the matrix elements is very large, the square root formula $<6s|H_{hfs}|7s > = \sqrt{< 6s|H_{hfs}|6s > < 7s|H_{hfs}|7s >}$ remains valid to the accuracy of a fraction of $10^{-3}$. The result for the M1-amplitude is used in the interpretation of the parity-violation measurement in the $6s-7s$ transition in Cs which claims a possible deviation from the Standard model.
Positron binding to silver and gold atoms was studied using a fully {\it ab initio} relativistic method, which combines the configuration interaction method with many-body perturbation theory. It was found that the silver atom forms a bound state with a positron with binding energy 123 ($\pm$ 20%) meV, while the gold atom cannot bind a positron. Our calculations reveal the importance of the relativistic effects for positron binding to heavy atoms. The role of these effects was studied by varying the value of the fine structure constant $α$. In the non-relativistic limit, $α= 0$, both systems $e^+$Ag and $e^+$Au are bound with binding energies of about 200 meV for $e^+$Ag and 220 meV for $e^+$Au. Relativistic corrections for a negative ion are essentially different from that for a positron interacting with an atom. Therefore, the calculation of electron affinities cannot serve as a test of the method used for positron binding in the non-relativistic case. However, it is still a good test of the relativistic calculations. Our calculated electron affinities for silver (1.327 eV) and gold (2.307 eV) atoms are in very good agreement with corresponding experimental values (1.303 eV and 2.309 eV respectively).