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W. R. Johnson

Publications and source records attributed to W. R. Johnson.

At least 37 records · Page 2Linked to original sources
arXiv2007

Relativistic coupled-cluster single-double method applied to alkali-metal atoms

A relativistic version of the coupled-cluster single-double (CCSD) method is developed for atoms with a single valence electron. In earlier work, a linearized version of the CCSD method (with extensions to include a dominant class of triple excitations) led to accurate predictions for energies, transition amplitudes, hyperfine constants, and other properties of monovalent atoms. Further progress in high-precision atomic structure calculations for heavy atoms calls for improvement of the linearized coupled-cluster methodology. In the present work, equations for the single and double excitation coefficients of the Dirac-Fock wave function, including all non-linear coupled-cluster terms that contribute at the single-double level are worked out. Contributions of the non-linear terms to energies, electric-dipole matrix elements, and hyperfine constants of low-lying states in alkali-metal atoms from Li to Cs are evaluated and the results are compared with other calculations and with precise experiments.

physics.atom-ph↗
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

Third-order many-body perturbation theory calculations for the beryllium and magnesium isoelectronic sequences

Relativistic third-order MBPT is applied to obtain energies of ions with two valence electrons in the no virtual-pair approximation (NVPA). A total of 302 third-order Goldstone diagrams are organized into 12 one-body and 23 two-body terms. Only third-order two-body terms and diagrams are presented here, owing to the fact that the one-body terms are identical to the previously studied third-order terms in monovalent ions. Dominant classes of diagrams are identified. The model potential is a Dirac-Hartree-Fock $V^{N-2}$ potential, and B-spline basis functions in a cavity of finite radius are employed in the numerical calculations. The Breit interaction is taken into account through second order of perturbation theory and the lowest-order Lamb shift is also evaluated. Sample calculations are performed for berylliumlike ions with Z = 4--7, and for the magnesiumlike ion P IV. The third-order energies are in excellent agreement with measurement with an accuracy at 0.2% level for the cases considered. Comparisons are made with previous second-order MBPT results and with other calculations. The third-order energy correction is shown to be significant, improving second-order correlation energies by an order of magnitude.

physics.atom-ph↗
arXiv2005

Calculation of isotope shifts for cesium and francium

We perform ab initio calculations of isotope shifts for isotopes of cesium (from A=123 to A=137) and francium (from A=207 to A=228). These calculations start from the relativistic Hartree-Fock method and make use of several techniques to include correlations. The field (volume) isotope shift is calculated by means of an all-order correlation potential method and within the singles-doubles partial triples linearized coupled-cluster approach. Many-body perturbation theory in two different formulations is used to calculate the specific mass shift. We discuss the strong points and shortcomings of the different approaches and implications for parity nonconservation in atoms. Changes in nuclear charge radii are found by comparing the present calculations with experiment.

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

Off-diagonal hyperfine interaction between the 6p1/2 and 6p3/2 levels in 133Cs

The off-diagonal hyperfine interaction between the 6p1/2 and 6p3/2 states in 133Cs is evaluated in third-order MBPT giving 37.3 Hz and 48.3 Hz, respectively, for second-order energies of the 6p3/2 F=3 and F=4 levels. This result is a factor of 10 smaller than one obtained from an uncorrelated first-order Dirac-Hartree-Fock calculation and used in the analysis of a recent high-precision (< 2 kHz) measurement of the 6p3/2 hyperfine structure [Gerginov et al. Phys. Rev. Lett. 91, 72301 (2003)]. The factor of 10 difference has negligible effect on the conclusions of the recent experiment but will become important for experiments carried out at a precision of better than 1 kHz.

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↗
arXiv2004

Relaxation effect and radiative corrections in many-electron atoms

We illuminate the importance of a self-consistent many-body treatment in calculations of vacuum polarization corrections to the energies of atomic orbitals in many-electron atoms. Including vacuum polarization in the atomic Hamiltonian causes a substantial re-adjustment (relaxation) of the electrostatic self-consistent field. The induced change in the electrostatic energies is substantial for states with the orbital angular momentum $l &;gt; 0$. For such orbitals, the relaxation mechanism determines the sign and even the order of magnitude of the total vacuum polarization correction. This relaxation mechanism is illustrated with numerical results for the Cs atom.

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

Two-photon E1M1 decay of 2 3P0 states in heavy heliumlike ions

Two-photon E1M1 transition rates are evaluated for heliumlike ions with nuclear charges in the range Z = 50-94. The two-photon rates modify previously published lifetimes/transition rates of 2 3P0 states. For isotopes with nuclear spin I not equal 0, where hyperfine quenching dominates the 2 3P0 decay, two-photon contributions are significant; for example, in heliumlike 187 Os the two-photon correction is 3% of the total rate. For isotopes with I= 0, where the 2 3P0 decay is unquenched, the E1M1 corrections are even more important reaching 60% for Z=94. Therefore, to aid in the interpretation of experiments on hyperfine quenching in heliumlike ions and to provide a more complete database for unquenched transitions, a knowledge of E1M1 rates is important.

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↗