Development of a configuration-interaction + all-order method for atomic calculations

Abstract

We develop a theoretical method within the framework of relativistic many-body theory to accurately treat correlation corrections in atoms with few valence electrons. This method combines the all-order approach currently used in precision calculations of properties of monovalent atoms with the configuration-interaction approach that is applicable for many-electron systems. The method is applied to Mg, Ca, Sr, Zn, Cd, Ba, and Hg to evaluate ionization energies and low-lying energy levels.

10 pages

References in corpus (18)

• Relativistic many-body calculations of energy levels, hyperfine constants, electric-dipole matrix elements and static polarizabilities for alkali-metal atoms
• Multipolar theory of black-body radiation shift of atomic energy levels and its implications for optical lattice clocks
• Magic wavelengths for the np-ns transitions in alkali-metal atoms
• Relativistic corrections to transition frequencies of Ag I, Dy I, Ho I, Yb II, Yb III, Au I and Hg II and search for variation of the fine structure constant
• Measurement of the 6s - 7p transition probabilities in atomic cesium and a revised value for the weak charge Q_W
• High-precision calculations of electric-dipole amplitudes for transitions between low-lying levels of Mg, Ca, and Sr
• Parity non-conservation in thallium
• Combined CI+MBPT calculations of energy levels and transition amplitudes in Be, Mg, Ca, and Sr
• Blackbody radiation shift in a 43Ca+ ion optical frequency standard
• Relativistic coupled-cluster single-double method applied to alkali-metal atoms
• Calculation of parity nonconserving amplitude and other properties of Ra+
• Calculations of energy levels and lifetimes of low-lying states of barium and radium
• Core-valence correlations for atoms with open shells
• Including of triple excitations in the relativistic coupled-cluster formalism and calculation of Na properties
• Theoretical overview of atomic parity violation. Recent developments and challenges
• Calculation of energy levels and transition amplitudes for barium and radium
• Electric Quadrupole Moments of Metastable States of Ca+, Sr+, and Ba+
• Mixed configuration-interaction and many-body perturbation theory calculations of energies and oscillator strengths of J=1 odd states of neon

Cited by in corpus (91)

• Theory and applications of atomic and ionic polarizabilities
• Spectroscopic observation of SU(N)-symmetric interactions in Sr orbital magnetism
• Highly charged ions: optical clocks and applications in fundamental physics
• Alkaline earth atoms in optical tweezers
• Blackbody radiation shift in the Sr optical atomic clock
• Evidence for Nonlinear Isotope Shift in Yb${}^{+}$ Search for New Boson
• Highly-charged ions for atomic clocks, quantum information, and search for $\alpha$-variation
• Precision calculation of blackbody radiation shifts for optical frequency metrology
• Blackbody radiation shift, multipole polarizabilities, oscillator strengths, lifetimes, hyperfine constants, and excitation energies in Ca+
• Two clock transitions in neutral Yb for the highest sensitivity to variations of the fine-structure constant
• Combining configuration interaction with perturbation theory for atoms with large number of valence electrons
• Narrow-line Cooling and Determination of Magic Wavelength of Cd
• Study of highly-charged Ag-like and In-like ions for the development of atomic clocks and search for $\alpha$-variation
• Atomic many-body effects and Lamb shifts in alkali metals
• Atomic properties of superheavy elements No, Lr, and Rf
• QED shifts in multivalent heavy ions
• New ideas for tests of Lorentz invariance with atomic systems
• Electric dipole moment enhancement factor of thallium
• Ytterbium in quantum gases and atomic clocks: van der Waals interactions and blackbody shifts
• Recent progress in laser spectroscopy of the actinides
• Optical clocks based on the Cf${}^{15+}$ and Cf${}^{17+}$ ions
• Atomic properties of Cd-like and Sn-like ions for the development of frequency standards and search for the variation of the fine-structure constant
• Relativistic Equation of Motion Coupled-Cluster Method: Application to the closed-shell atomic systems
• Ultracold anions for high-precision antihydrogen experiments
• Combination of the single-double coupled cluster and the configuration interaction methods; application to barium, lutetium and their ions
• Nuclear charge radii of ${}^{229}$Th from isotope and isomer shifts
• Accurate prediction of clock transitions in a highly charged ion with complex electronic structure
• Long range interaction coefficients for ytterbium dimers
• A Partitioned Correlation Function Interaction approach for describing electron correlation in atoms
• Polarizabilities, Stark shifts, and lifetimes of In atom
• Atomic Properties of Lu${}^{+}$
• Multipolar polarizabilities and hyperpolarizabilities in the Sr optical lattice clock
• Exploring Biorthonormal Transformations of Pair-Correlation Functions in Atomic Structure Variational Calculations
• Relativistic coupled-cluster calculations of ${}^{20}$Ne, ${}^{40}$Ar, ${}^{84}$Kr and ${}^{129}$Xe: correlation energies and dipole polarizabilities
• Actinide ions for testing the spatial $\alpha -$variation hypothesis
• Particle-hole configuration interaction and many-body perturbation theory: application to Hg+
• Relativistic all-order calculations of Th, Th${}^{+}$ and Th${}^{2+}$ atomic properties
• A development of the CI + all-order method and application to the parity-nonconserving amplitude and other properties of Pb
• Fock space relativistic coupled-Cluster calculations of Two-Valence Atoms
• Polarizabilities of Si^{2+}: a benchmark test of theory and experiment
• Spectra of barium, radium, and element 120; application of the combined correlation potential, singles-doubles, and configuration interaction ab initio method
• Motional ground-state cooling of single atoms in state-dependent optical tweezers
• Polarizability assessments of ion-based optical clocks
• Relativistic coupled-cluster single-double calculations of positron-atom bound states
• Nobelium energy levels and hyperfine structure constants
• Anomalously small blackbody radiation shift in Tl+ frequency standard
• Relativistic all-order many-body calculation of energies, wavelengths, and $M1$ and $E2$ transition rates for the $3d^n$ configurations in tungsten ions
• Observation of an unexpected negative isotope shift in 229Th+ and its theoretical explanation
• Hyperfine interaction with the ${}^{229}$Th nucleus and its low lying isomeric state
• State-Insensitive Trapping of Alkaline-Earth Atoms in a Nanofiber-Based Optical Dipole Trap
• Electron structure of superheavy elements Uut, Fl and Uup ($Z$=113 to 115)
• Strongly enhanced atomic parity violation due to close levels of opposite parity
• Calculation of higher-order corrections to the light shift of the $5s^2{}^1{S}_0$--$5s5p{}^3{P}_0^o$ clock transition in Cd
• Relativistic many-body calculations of van der Waals coefficients for Yb-Li and Yb-Rb dimers
• Coherent excitation of a $\mu$Hz scale optical magnetic quadrupole transition
• pCI: a parallel configuration interaction software package for high-precision atomic structure calculations
• Clock-related properties of Lu+
• Optical Telecommunications-Band Clock based on Neutral Titanium Atoms
• Thallium 7p lifetimes derived from experimental data and ab initio calculations of scalar polarizabilities
• Correlation, Breit, and QED effects in spectra of Mg-like ions
• Relativistic calculations of $C_6$ and $C_8$ coefficients for strontium dimers
• A theoretical study of the g-factor of the 6s6p 3P0 state of mercury
• Atomic properties of actinide ions with particle-hole configurations
• Measurement of the scalar polarizability within the 5P1/2-6S1/2, 410 nm transition in atomic indium
• Predicting quasibound states of negative ions
• Resolving all-order method convergence problems for atomic physics applications
• Detection of missing low-lying atomic states in actinium
• Precision measurement of the ${}^3{D}_1$ and ${}^3{D}_2$ quadrupole moments in Lu${}^{+}$
• Magic wavelengths of the Sr ($5s^2{}^1{S}_0$--$5s5p{}^3{P}_1$) intercombination transition near the $5s5p{}^3{P}_1$--$5p^2{}^3{P}_2$ transition
• Effective three particle forces in polyvalent atoms
• Study of quadrupole polarizabilities with combined configuration interaction and coupled-cluster method
• Pr10+ as a candidate for a high-accuracy optical clock for tests of fundamental physics
• Atomic calculations of hyperfine structure anomaly in gold
• Observation of an electric quadrupole transition in a negative ion: Experiment and Theory
• Laser Spectroscopy of the y${}^7$P${}_J^{\circ }$ states of Cr I
• Calculation of parity non-conservation in xenon and mercury
• Measurement of 7p${}_{1/2}$-state hyperfine structure and 7s${}_{1/2}$-7p${}_{1/2}$ transition isotope shift in ${}^{203}$Tl and ${}^{205}$Tl
• High-precision measurements and theoretical calculations of indium excited-state polarizabilities
• Calculations of the atomic structure for the low-lying states of actinium
• Measurement of the scalar polarizability of the indium $6p_{1/2}$ state using two-step atomic-beam spectroscopy
• Dynamic polarizabilities and triple magic trapping conditions for $5s^2{}^1{S}_0\to 5s5p{}^3{P}_{0,2}$ transitions of Cd atoms
• Theoretical study of electronic structure of hafnium (Hf, Z=72) and rutherfordium (Rf, Z=104) atoms and their ions: Energy levels and hyperfine structure constants
• Relativistic effects on the hyperfine structures of 2p4(3P)3p 2Do, 4Do and 4Po in 19F I
• Role of triple excitations in calculating different properties of Ba+
• High-precision measurement and ab initio calculation of the $(6s^{2}6p^2){}^3{P}_0\to {}^3{P}_2$ electric quadrupole transition amplitude in ${}^{208}$Pb
• The Bohr-Weisskopf effect in the potassium isotopes
• Relativistic atomic structure calculations in support of spectroscopy
• Basis set calculations of heavy atoms
• Landé $g$ factor measurement of ${}^{48}$Ti${}^{+}$ using simultaneous co-magnetometry and quantum logic spectroscopy
• Scalable codes for precision calculations of properties of complex atomic systems
• Turquoise Magic Wavelength of the ${}^{87}$Sr Clock Transition