Search

A recently developed version of the configuration interaction (CI) method for open shells with a large number of valence electrons has been used to study two heavy atoms, californium (Cf, Z= 98) and einsteinium (Es, Z= 99). Motivated by experimental work to measure the hyperfine structure (HFS) for these atoms, we perform the calculations of the magnetic dipole HFS constants $A$ and electric quadrupole HFS constant $B$ for the sake of interpretation of the measurements in terms of nuclear magnetic moment $\mu$ and electric quadrupole moment $Q$. For verification of our computations, we have also carried out similar calculations for the lighter homologs dysprosium (Dy, Z= 66) and holmium (Ho, Z= 67), whose electronic structures are similar to Cf and Es, respectively. We have conducted a revision of the nuclear moments of some isotopes of Es leading to an improved value of the magnetic moment of $^{253}$Es [$\mu$($^{253}$Es) = 4.20(13)$\mu_N$]., Comment: 7 pages

We identify laser-accessible transitions in group 16-like highly charged ions as candidates for high-accuracy optical clocks, including S-, Se-, and Te-like systems. For this class of ions, the ground $^{3}P_{J}$ fine structure manifold exhibits irregular (nonmonotonic in $J$) energy ordering for large enough ionization degree. We consider the $|^3P_2\rangle \longleftrightarrow |^3P_0\rangle$ (ground to first-excited state) electric quadrupole transition, performing relativistic many-body calculations of several atomic properties important for optical clock development. All ions discussed are suitable for production in small-scale ion sources and lend themselves to sympathetic cooling and quantum-logic readout with singly charged ions., 9 pages, 1 figure

We report measurements of isotope shifts for the five spinless Yb isotopes on the $6s^2\,^1\textrm{S}_0 \rightarrow 5d6s\,^1\textrm{D}_2$ transition using Doppler-free two-photon spectroscopy. We combine these data with existing measurements on two transitions in Yb$^+$ [Phys. Rev. Lett. 125, 123002 (2020)], where deviation from King-plot linearity showed hints of a new bosonic force carrier at the 3$\sigma$ level. The combined data strongly reduces the significance of the new-physics signal. We show that the observed nonlinearity in the joint Yb/Yb$^+$ King-plot analysis can be accounted for by the deformation of the Yb nuclei., Comment: Minor changes

We study the $^1$S$_0 - ^3$D$_2$ and $^1$S$_0 - ^3$D$_3$ transitions in Cu II and the $^1$S$_0 - ^3$P$^{\rm o}_2$ transition in Yb III as possible candidates for the optical clock transitions. A recently developed version of the configuration (CI) method, designed for a large number of electrons above closed-shell core, is used to carry out the calculation. We calculate excitation energies, transition rates, lifetimes, scalar static polarizabilities of the ground and clock states, and blackbody radiation shift. We demonstrate that the considered transitions have all features of the clock transition leading to prospects of highly accurate measurements. Search for new physics, such as time variation of the fine structure constant, is also investigated., 9 pages, 2 figures

We use a recently developed version of the configuration method for open shells to study electronic structure of erbium and fermium atoms. We calculate excitation energies of odd states connected to the even ground state by electric dipole transitions, the corresponding transition rates, isotope shift, hyperfine structure, ionization potentials and static scalar polarizabilities. We argue that measuring isotope shift for several transitions can be used to study nuclear deformation in even-even nuclei. This is important for testing nuclear theory and for searching for the hypothetical island of stability. Since erbium and fermium have similar electronic structures, calculations for erbium serve as a guide to the accuracy of the calculations., 10 pages, 1 figure, to be published

We perform calculations of the CP-violating atomic and molecular electric dipole moments (EDM) induced by the interaction of the nuclear Schiff moments with electrons. EDM of atoms Eu, Dy, Gd, Ac, Th, Pa, U, Np and Pu are of special interest since they have isotopes with strongly enhanced nuclear Schiff moments caused by the octupole nuclear deformation or soft octupole vibration mode. These atoms have open 4f or 5f shells making the calculations complicated. We use our special version of the configuration interaction method combined with the many-body perturbation theory method adopted for open f-shell case. To validate the method we perform similar calculations for simpler atoms (Xe, Hg, Tl+, Pb, Pb++, Rn, Ra) where some earlier results are available. In addition we present the estimates of the CP-violating nuclear spin - molecular axis interaction constants for molecules which may be of experimental interest including AcF, EuN, ThO, PbO and TlF. We also present updated values of the nuclear Schiff moments and atomic and molecular EDM expressed in terms of the CP-violating pi-meson - nucleon interaction constants g_0,g_1, g_2, QCD parameter theta and quark chromo-EDMs. The results may be used to test CP-violation theories and search for axion dark matter in atomic, molecular and solid state experiments.

White dwarf atmospheres are subjected to gravitational potentials around $10^5$ times larger than occur on Earth. They provide a unique environment in which to search for any possible variation in fundamental physics in the presence of strong gravitational fields. However, a sufficiently strong magnetic field will alter absorption line profiles and introduce additional uncertainties in measurements of the fine structure constant. Estimating the magnetic field strength is thus essential in this context. Here we model the absorption profiles of a large number of atomic transitions in the white dwarf photosphere, including first-order Zeeman effects in the line profiles, varying the magnetic field as a free parameter. We apply the method to a high signal-to-noise, high-resolution, far-ultraviolet HST/STIS spectrum of the white dwarf G191-B2B. The method yields a sensitive upper limit on its magnetic field of $B < 2300$ Gauss at the $3\sigma$ level. Using this upper limit we find that the potential impact of quadratic Zeeman shifts on measurements of the fine structure constant in G191-B2B is 4 orders of magnitude below laboratory wavelength uncertainties., Comment: 10 pages, 5 figures

We calculate excitation energies for low states of nobelium, including states with open $5f$ subshell. An efficient version of the many-electron configuration-interaction method for treating the atom as a sixteen external electrons system has been developed and used. The method is tested on calculations for ytterbium which has external electron structure similar to nobelium. The results for nobelium are important for prediction of its spectrum and for interpretation of recent measurements. Ytterbium is mostly used to study the features of the method., 4 pages, 1 figure

Atomic spectra and other properties of superheavy element dubnium (Db, $Z=105$) are calculated using recently developed method combining configuration interaction with perturbation theory [the CIPT method, V. A. Dzuba, J. C. Berengut, C. Harabati, and V. V. Flambaum, Phys. Rev. A 95, 012503 (2017)]. These include energy levels for low-lying states of Db and Db II, electric dipole transition amplitudes between the ground state and low-lying states of opposite parity, isotope shift for these transitions, and the ionization potential of Db. Similar calculations for Ta, which is a lighter analog of Db, are performed to control the accuracy of the calculations.

In the presence of P-violating interactions, the exchange of vector bosons between electrons and nucleons induces parity-nonconserving (PNC) effects in atoms and molecules, while the exchange of vector bosons between nucleons induces anapole moments of nuclei. We perform calculations of such vector-mediated PNC effects in Cs, Ba$^+$, Yb, Tl, Fr and Ra$^+$ using the same relativistic many-body approaches as in earlier calculations of standard-model PNC effects, but with the long-range operator of the weak interaction. We calculate nuclear anapole moments due to vector boson exchange using a simple nuclear model. From measured and predicted (within the standard model) values for the PNC amplitudes in Cs, Yb and Tl, as well as the nuclear anapole moment of $^{133}$Cs, we constrain the P-violating vector-pseudovector nucleon-electron and nucleon-proton interactions mediated by a generic vector boson of arbitrary mass. Our limits improve on existing bounds from other experiments by many orders of magnitude over a very large range of vector-boson masses., 5 pages, 2 figures

Nuclei with spin $I \ge 1$ have a weak quadrupole moment which leads to tensor contribution to the parity non-conserving interaction between nuclei and electrons. We calculate this contribution for Yb$^+$, Fr and Ra$^+$ and found it to be small. In contrast, in many lanthanides (e.g., Nd, Gd, Dy, Ho, Er, Pr, Sm) and Ra close levels of opposite parity lead to strong enhancement of the effect making it sufficiently large to be measured. Another possibility is to measure the PNC transitions between the hyperfine components of the ground state of Bi. Since nuclear weak charge is dominated by neutrons this opens a way of measuring quadrupole moments of neutron distribution in nuclei., 9 pages, 1 figure

Hot white dwarf stars are the ideal probe for a relationship between the fine-structure constant and strong gravitational fields, providing us with an opportunity for a direct observational test. We study a sample of hot white dwarf stars, combining far-UV spectroscopic observations, atomic physics, atmospheric modelling and fundamental physics, in the search for variation in the fine structure constant. This variation manifests as shifts in the observed wavelengths of absorption lines, such as quadruply ionized iron (FeV) and quadruply ionized nickel (NiV), when compared to laboratory wavelengths. Berengut et al. (Phys. Rev. Lett. 2013, 111, 010801) demonstrated the validity of such an analysis using high-resolution Hubble Space Telescope (HST)/Space Telescope Imaging Spectrograph (STIS) spectra of G191-B2B. We have made three important improvements by: (a) using three new independent sets of laboratory wavelengths, (b) analysing a sample of objects, and (c) improving the methodology by incorporating robust techniques from previous studies towards quasars (the Many Multiplet method). A successful detection would be the first direct measurement of a gravitational field effect on a bare constant of nature. Here we describe our approach and present preliminary results from nine objects using both FeV and NiV., Comment: 6 pages, 1 figure, published on 30th March 2017 in Universe as part of VARCOSMOFUN'16 proceedings

The strong mixing of many-electron basis states in excited atoms and ions with open $f$ shells results in very large numbers of complex, chaotic eigenstates that cannot be computed to any degree of accuracy. Describing the processes which involve such states requires the use of a statistical theory. Electron capture into these 'compound resonances' leads to electron-ion recombination rates that are orders of magnitude greater than those of direct, radiative recombination, and cannot be described by standard theories of dielectronic recombination. Previous statistical theories considered this as a two-electron capture process which populates a pair of single-particle orbitals, followed by 'spreading' of the two-electron states into chaotically mixed eigenstates. This method is similar to a configuration-average approach, as it neglects potentially important effects of spectator electrons and conservation of total angular momentum. In this work we develop a statistical theory which considers electron capture into 'doorway' states with definite angular momentum obtained by the configuration interaction method. We apply this approach to electron recombination with W$^{20+}$, considering 2 million doorway states. Despite strong effects from the spectator electrons, we find that the results of the earlier theories largely hold. Finally, we extract the fluorescence yield (the probability of photoemission and hence recombination) by comparison with experiment., Comment: 11 pages, 5 figures

We review a number of highly charged ions which have optical transitions suitable for building extremely accurate atomic clocks. This includes ions from Hf$^{12+}$ to U$^{34+}$, which have the $4f^{12}$ configuration of valence electrons, the Ir$^{17+}$ ion, which has a hole in almost filled $4f$ subshell, the Ho$^{14+}$, Cf$^{15+}$, Es$^{17+}$ and Es$^{16+}$ ions. Clock transitions in most of these ions are sensitive to variation of the fine structure constant, $\alpha$ ($\alpha = e^2/\hbar c$). E.g., californium and einsteinium ions have largest known sensitivity to $\alpha$-variation while holmium ion looks as the most suitable ion for experimental study. We study the spectra of the ions and their features relevant to the use as frequency standards., Comment: 5 pages, 4 figures, based on talk presented at TCP2014 conference, Takamatsu, Japan, 4 Dec. 2014

Studying the violation of parity and time-reversal invariance in atomic systems has proven to be a very effective means for testing the electroweak theory at low energy and searching for physics beyond it. Recent developments in both atomic theory and experimental methods have led to the ability to make extremely precise theoretical calculations and experimental measurements of these effects. Such studies are complementary to direct high-energy searches, and can be performed for just a fraction of the cost. We review the recent progress in the field of parity and time-reversal violation in atoms, molecules, and nuclei, and examine the implications for physics beyond the Standard Model, with an emphasis on possible areas for development in the near future., Review article prepared for Annual Review of Nuclear and Particle Science. 31 pages, 6 tables, 5 figures

The combination of the configuration interaction method and all-order single-double coupled-cluster technique is used to calculate excitation energies, ionization potentials and static dipole polarizabilities of superheavy elements nobelium, lawrencium and rutherfordium. Breit and quantum electrodynamic corrections are also included. The results for the superheavy elements are compared with earlier calculations where available. Similar calculations for lighter analogs, ytterbium, lutetium, and hafnium are used to study the accuracy of the calculations. The estimated uncertainties of the final results are discussed., 9 pages, 9 tables, no figures

We propose 10 highly charged ions as candidates for the development of next generation atomic clocks, quantum information, and search for $\ensuremath{\alpha}$ variation. They have long-lived metastable states with transition wavelengths to the ground state between 170--3000 nm, relatively simple electronic structure, stable isotopes, and high sensitivity to $\ensuremath{\alpha}$ variation (e.g., ${\mathrm{Sm}}^{14+}$, ${\mathrm{Pr}}^{10+}$, ${\mathrm{Sm}}^{13+}$, ${\mathrm{Nd}}^{10+}$). We predict their properties crucial for the experimental exploration and highlight particularly attractive systems for these applications.

We propose methods for extracting limits on the strength of P-odd interactions of pseudoscalar and pseudovector cosmic fields with electrons, protons and neutrons. Candidates for such fields are dark matter (including axions) and dark energy, as well as several more exotic sources described by standard-model extensions. Calculations of parity nonconserving amplitudes and atomic electric dipole moments induced by these fields are performed for H, Li, Na, K, Rb, Cs, Ba+, Tl, Dy, Fr, and Ra+. From these calculations and existing measurements in Dy, Cs and Tl, we constrain the interaction strengths of the parity-violating static pseudovector cosmic field to be 7*10^(-15) GeV with an electron, and 3*10^(-8) GeV with a proton., 6 pages, 1 figure

We identify a pair of near-degenerate states of opposite parity in atomic Xe, the $5p^5 10s \,\, ^2[3/2]_2^o$ at $\rm{E}=94759.927$ cm$^{-1}$ and $5p^5 6f \,\, ^2[5/2]_2$ at $\rm{E}= 94759.935$ cm$^{-1}$, for which parity- and time-odd effects are expected to be enhanced by the small energy separation. We present theoretical calculations which indicate narrow widths for both states and we report a calculated value for the weak matrix element, arising from configuration mixing, of $|W|=2.1$ Hz for $^{132}$Xe. In addition, we measured the Stark effect of the $5p^5\,6f$ $^2[5/2]_{2}$ and $5p^5 \,6f \ ^2[3/2]_2$ ($\rm{E} =94737.121\,\rm{cm}^{-1}$) states. The Stark-shift of the $6f$ states is observed to be negative, revealing the presence of nearby $6g$ states at higher energies, which have not been observed before. The Stark-shift measurements imply an upper limit on the weak matrix element of $|W|\!, Comment: 11 pages, 6 figures

Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density functional theory and accounting for core polarization effects. Heavy diatomic molecules are good candidates for the successful measurement of the nuclear anapole moment, which is the dominant NSD parity violation term in heavy elements. Improved results for the molecules studied in our previous publication [Borschevsky et al., Phys. Rev. A 85, 052509 (2012)] are presented along with the calculations for a number of new promising candidates for the nuclear anapole measurements., 7 pages, 1 figure. arXiv admin note: substantial text overlap with arXiv:1209.4282, arXiv:1201.0582

The possibility of using neutral and double ionized erbium for atomic clocks of high precision is investigated. In both cases the narrow electric quadrupole clock transition between the ground and first exited states of the same configuration lies in optical region. The estimated ratio of decay width to transition energy is less then ${10}^{\ensuremath{-}20}$. We demonstrate that these transitions are not sensitive to blackbody radiation, and if other perturbations are also considered the relative accuracy of the clocks can probably reach the level of ${10}^{\ensuremath{-}18}$ or better.

We report a joint test of local Lorentz invariance and the Einstein equivalence principle for electrons, using long-term measurements of the transition frequency between two nearly degenerate states of atomic dysprosium. We present many-body calculations which demonstrate that the energy splitting of these states is particularly sensitive to violations of both special and general relativity. We limit Lorentz violation for electrons at the level of $10^{-17}$, matching or improving the best laboratory and astrophysical limits by up to a factor of 10, and improve bounds on gravitational redshift anomalies for electrons by 2 orders of magnitude, to $10^{-8}$. With some enhancements, our experiment may be sensitive to Lorentz violation at the level of $9\times 10^{-20}$., Updated to match published version

We apply the sum-over-states approach to calculate partial contributions to the parity non-conservation (PNC) in cesium [Porsev {\em et al}, Phys. Rev. D {\bf 82}, 036008 (2010)]. We have found significant corrections to two non-dominating terms coming from the contribution of the core and highly excited states ($n>9$, the so called {\em tail}). When these differences are taken into account the result of Porsev {\em et al}, $E_{\rm PNC} = 0.8906\,(24) \times 10^{-11}i(-Q_W/N)$ changes to $0.8977\,(40)$, coming into good agreement with our previous calculations, $0.8980\,(45)$. The interpretation of the PNC measurements in cesium still indicates reasonable agreement with the standard model ($1.5\,\sigma$), however gives new constraints on physics beyond it., Comment: 5 pages, 4 tables

We study transitions between ground and low-energy excited states of heavy ions corresponding to s-d single-electron transitions or s^2-d^2 double-electron transitions. The large nuclear charge Z and significant change in angular momentum of electron orbitals make these transitions highly sensitive to a potential variation in the fine-structure constant, alpha. The transitions may be considered as candidates for laboratory searches for space-time variation of alpha., 4 pages, 8 tables

We use configuration interaction and many-body perturbation theory techniques to calculate spin-independent and spin-dependent parts of the parity nonconserving amplitudes of the transitions between the $6s^2 \ ^1$S$_0$ ground state and the $6s5d \ ^3$D$_1$ excited state of $^{171}$Yb and $^{173}$Yb. The results are presented in a form convenient for extracting spin-dependent interaction constants (such as, e.g., anapole moment) from the measurements., 6 pages, no figures

A method is proposed for detecting positron-atom bound states by observing enhanced positron annihilation due to electronic Feshbach resonances at electron-volt energies. The method is applicable to a range of open-shell transition metal atoms which are likely to bind the positron: Fe, Co, Ni, Tc, Ru, Rh, Sn, Sb, Ta, W, Os, Ir, and Pt. Estimates of their binding energies are provided., Comment: 5 pages, 1 figure; estimates of binding energies have been added

Using the relativistic Hartree-Fock approximation, we calculate the rates of atomic ionization by absorption of axions of the energies up to 100 keV and for an arbitrary value of the axion mass. We present numerical results for atoms used in the low radioactive background searches of dark matter (e.g. Ar, Ge and Xe), as well as the analytical formula which fits numerical calculations for the absorption cross sections and can be applied for other atoms, molecules and condensed matter systems. Using the cross-sections for the axio-electric effect, we derive the counting rates induced by solar axions and set limits on the axion coupling constants., 9 papers, 4 figures

We present analytical estimates and numerical calculations showing that the energy level density in open-shell atoms increases exponentially with increase of excitation energy. As an example, we use the relativistic Hartree-Fock and configuration interaction methods to calculate the density of states of Th and Th II. The result is used to estimate the effect of electrons on the nuclear transition which is considered for the use in a nuclear clock., 4 pages, 1 figure, 3 tables.

Using the relativistic Hartree-Fock approximation, we calculate the rates of atomic ionization by absorption of pseudoscalar particles in the mass range from 10 to $\sim$ 50 keV. We present numerical results for atoms relevant for the direct dark matter searches (e.g. Ar, Ge, I and Xe), as well as the analytical formula which fits numerical calculations with few per cent accuracy and may be used for multi-electron atoms, molecules and condensed matter systems., 4.5 pages, 3 figures

We explore a feasibility of measuring atom-wall interaction using atomic clocks based on atoms trapped in engineered optical lattices. Optical lattice is normal to the wall. By monitoring the wall-induced clock shift at individual wells of the lattice, one would measure a dependence of the atom-wall interaction on the atom-wall separation. We rigorously evaluate the relevant clock shifts and show that the proposed scheme may uniquely probe the long-range atom-wall interaction in all three qualitatively-distinct regimes of the interaction: van der Waals (image-charge interaction), Casimir-Polder (QED vacuum fluctuations) and Lifshitz (thermal bath fluctuations). The analysis is carried out for atoms Mg, Ca, Sr, Cd, Zn, and Hg, with a particular emphasis on Sr clock., 4 pages, 4 figures

The present definition of the unit of time, the second, is based on the frequency of the microwave transition between two hyperfine levels of the Cs atom. Recently, it has been realized that the accuracy and stability of atomic clocks can be substantially improved by trapping atoms in optical lattices operated at a certain “magic” wavelength [1, 2]. At this magic wavelength, both clock levels experience the same AC Stark shift; the clock frequency becomes essentially independent on trapping laser intensity.

High-precision calculations of the energy levels of the superheavy element Z=120 are presented. The relativistic Hartree-Fock and configuration interaction techniques are employed. The correlations between core and valence electrons are treated by means of the correlation potential method and many-body perturbation theory. Similar calculations for barium and radium are used to gauge the accuracy of the calculations and to improve the ab initio results., 4 pages

The search for variation of the fundamental constants such as the fine structure constant $\alpha$ ($\alpha=e^2/\hbar c$) and the ratios of fundamental masses (e.g., electron to proton mass ratio $\mu=m_e/m_p$) is reviewed. Strong emphasis is given to establishing the relationships between the change in the measured frequencies of atomic, molecular or nuclear transitions and the corresponding change of the fundamental constants. Transitions in which the sensitivity of the frequency change to the variation of the fine structure constant is strongly enhanced are discussed and most recent experimental results are presented. Most attention is given to the use of atomic, molecular and nuclear transitions in the study of quasar absorption spectra and in atomic clock experiments., Comment: 9 pages. Based on the talk at the Symposium on Atomic Physics: A Tribute to Walter Johnson, Notre Dame, 4 April 2008. Cited numbers corrected

The relativistic coupled-cluster single-double method is used to calculate the dependence of frequencies of strong $E1$-transitions in many monovalent atoms and ions on the fine-structure constant $\alpha$. These transitions are used in the search for manifestations of the variation of the fine-structure constant in quasar absorption spectra. Results of the present calculations are in good agreement with previous calculations but are more accurate., Comment: 6 pages, 4 tables, no figures; submitted to Phys. Rev. A

We have calculated the atomic electric dipole moments (EDMs) d of ^3He and ^{171}Yb induced by their respective nuclear Schiff moments S. Our results are d(He)= 8.3x10^{-5} and d(Yb)= -1.9 in units 10^{-17}S/(e{fm}^3)e cm. By considering the nuclear Schiff moments induced by the parity and time-reversal violating nucleon-nucleon interaction we find d(^{171}Yb)~0.6d(^{199}Hg). For ^3He the nuclear EDM coupled with the hyperfine interaction gives a larger atomic EDM than the Schiff moment. The result for ^3He is required for a neutron EDM experiment that is under development, where ^3He is used as a comagnetometer. We find that the EDM for He is orders of magnitude smaller than the neutron EDM. The result for Yb is needed for the planning and interpretation of experiments that have been proposed to measure the EDM of this atom., 4 pages

We present an efficient method of inclusion of the core-valence correlations into the configuration interaction (CI) calculations. These correlations take place in the core area where the potential of external electrons is approximately constant. A constant potential does not change the core electron wave functions and Green's functions. Therefore, all operators describing interaction of $M$ valence electrons and $N-M$ core electrons (the core part of the Hartree-Fock Hamiltonian $V^{N-M}$, the correlation potential $\hat\Sigma_1({\bf r},{\bf r'},E)$ and the screening of interaction between valence electrons by the core electrons $\hat\Sigma_2$) may be calculated with all $M$ valence electrons removed. This allows one to avoid subtraction diagrams which make accurate inclusion of the core-valence correlations for $M>2$ prohibitively complicated. Then the CI Hamiltonian for $M$ valence electrons is calculated using orbitals in complete $V^{N}$ potential (the mean field produced by all electrons); $\hat\Sigma_1$ + $\hat\Sigma_2$ are added to the CI Hamiltonian to account for the core-valence correlations. We calculate $\hat\Sigma_1$ and $\hat\Sigma_2$ using many-body perturbation theory in which dominating classes of diagrams are included in all orders. We use neutral Xe I and all positive ions up to Xe VIII as a testing ground. We found that the core electron density for all these systems is practically the same. Therefore, we use the same $\hat\Sigma_1$ and $\hat\Sigma_2$ to build the CI Hamiltonian in all these systems ($M=1,2,3,4,5,6,7,8$). Good agreement with experiment for energy levels and Land\'{e} factors is demonstrated for all cases from Xe I to Xe VIII., Comment: 13 pages, 5 figures

The radium atom is a promising system for studying parity and time invariance violating weak interactions. However, available experimental spectroscopic data for radium is insufficient for designing an optimal experimental setup. We calculate the energy levels and transition amplitudes for radium states of significant interest. Forty states corresponding to all possible configurations consisting of the $7s$, $7p$ and $6d$ single-electron states as well as the states of the $7s8s$, $7s8p$ and $7s7d$ configurations have been calculated. The energies of ten of these states corresponding to the $6d^2$, $7s8s$, $7p^2$, and $6d7p$ configurations are not known from experiment. Calculations for barium are used to control the accuracy., 12 pages, 4 tables

We have performed calculations of the size of the frequency shift induced by a static electric field on the clock transition frequencies of the hyperfine splitting in Yb+, Rb, Cs, Ba+, and Hg+. The calculations are used to find the frequency shifts due to blackbody radiation which are needed for accurate frequency measurements and improvements of the limits on variation of the fine structure constant, alpha. Our result for Cs (delta nu E^2=-2.26 times 10^{-10}Hz/(V/m)^2) is in good agreement with early measurements and ab initio calculations. We present arguments against recent claims that the actual value might be smaller. The difference (approx 10%) is due to the contribution of the continuum spectrum in the sum over intermediate states., Added discussion of Cs results and references

We present accurate {\em ab initio} non-perturbative calculations of the Breit correction to the parity non-conserving (PNC) amplitudes of the $6s-7s$ and $6s-5d_{3/2}$ transitions in Cs, $7s-8s$ and $7s-6d_{3/2}$ transitions in Fr, $6s-5d_{3/2}$ transition in Ba$^+$, $7s-6d_{3/2}$ transition in Ra$^+$, and $6p_{1/2} - 6p_{3/2}$ transition in Tl. The results for the $6s-7s$ transition in Cs and $7s-8s$ transition in Fr are in good agreement with other calculations while calculations for other atoms/transitions are presented for the first time. We demonstrate that higher-orders many-body corrections to the Breit interaction are especially important for the $s-d$ PNC amplitudes. We confirm good agreement of the PNC measurements for cesium and thallium with the standard model ., 9 pages, 1 figure

We perform accurate calculations of the dependence of transition frequencies in two-valence-electron atoms and ions on a variation of the fine-structure constant, {alpha}=e{sup 2}/({Dirac_h}/2{pi})c. The relativistic Hartree-Fock method is used with many-body perturbation theory and configuration interaction methods to calculate transition frequencies. The results are to be used in atomic-clock-type laboratory experiments designed to test whether {alpha} varies in time.

We use the relativistic Hartree-Fock method, many-body perturbation theory and configuration-interaction method to calculate the dependence of atomic transition frequencies on the fine structure constant, alpha. The results of these calculations will be used in the search for variation of the fine structure constant in quasar absorption spectra., 4 pages, 5 tables

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., 11 pages

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., Submitted to Phys. Rev. A 6 pages, 0 figures, 3 tables

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., 24 pages, 8 figures

Theories unifying gravity and other interactions suggest the possibility of spatial and temporal variation of physical ``constants''. Accuracy achieved for the atomic optical frequency standards (optical clocks) approaches the level when possible time evolution of the fine structure constant $\alpha$ can be studied by comparisons of rates between clocks based on different atomic transitions in different atoms. The sensitivity to variation of $\alpha$ is due to relativistic corrections which are different in different atoms ($\sim Z^2\alpha^2$). We have calculated the values of the relativistic energy shifts in In II, Tl II, Ba II and Ra II which all can be used as atomic optical clocks. The results are to be used to translate any change in the clock's rate into variation of $\alpha$., Comment: 5 pages; LaTeX; Submitted to Phys. Rev. A

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. We have previously demonstrated that high sensitivity to the variation of the fine structure constant $\alpha$ can be obtained by comparing spectra of heavy and light atoms (or molecules). Here we describe new calculations for a range of atoms and ions, most of which are commonly detected in quasar spectra: Fe II, Mg II, Mg I, C II, C IV, N~V, O I, Al III, Si II, Si IV, Ca I, Ca II, Cr II, Mn II, Zn II, Ge II (see the results in Table 3). The combination of Fe II and Mg II, for which accurate laboratory frequencies exist, have already been used to constrain $\alpha$ variations. To use other atoms and ions, accurate laboratory values of frequencies of the strong E1-transitions from the ground states are required. We wish to draw the attention of atomic experimentalists to this important problem. We also discuss a mechanism which can lead to a greatly enhanced sensitivity for placing constraints on variation on fundamental constants. Calculations have been performed for Hg II, Yb II, Ca I and Sr II where there are optical transitions with the very small natural widths, and for hyperfine transition in Cs I and Hg II., Comment: 15 pages; LaTeX; Submitted to Phys. Rev. A