Calculation of quadrupole polarizabilities with combined configuration interaction and coupled-cluster method

Porsev, S. G.; Safronova, M. S.; Kozlov, M. G.

doi:10.1103/physreva.85.062517

Cited by 10 publications

(3 citation statements)

References 34 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The main contribution for the lifetimes of 4d j comes from the E2 (4d j -5s) transitions. The underlying theoretical frameworks of the relativistic coupled cluster (RCC) and MBPT-SD approaches have many common features [14,48,49]. In many instances, however, the atomic parameters computed using the RCC approach showed significant differences from other independent calculations [50][51][52][53].…”

Section: Line Strengths and Lifetimesmentioning

confidence: 99%

See 1 more Smart Citation

Relativistic semiempirical-core-potential calculations ofSr+using Laguerre and Slater spinors

et al. 2016

View full text Add to dashboard Cite

A relativistic description of the structure of heavy alkali-metal atoms and alkali-like ions using S-spinors and L-spinors is developed. The core wave function is defined by a Dirac-Fock calculation using an S-spinor basis. The S-spinor basis is then supplemented with a large set of L-spinors for calculation of the valence wave function in a frozen-core model. The numerical stability of the L-spinor approach is demonstrated by computing the energies and decay rates of several low-lying hydrogen eigenstates, along with the polarizabilities of a Z = 60 hydrogenic ion. The approach is then applied to calculate the dynamic polarizabilities of the 5s, 4d, and 5p states of Sr +. The magic wavelengths at which the Stark shifts between different pairs of transitions are 0 are computed. Determination of the magic wavelengths for the 5s → 4d 3

show abstract

Section: Line Strengths and Lifetimesmentioning

confidence: 99%

“…Numerous other examples of very good agreement of the semiempirical method with the most advanced ab initio theoretical models for oscillator strengths and polarizabilities can be found in Refs. [12][13][14].…”

Section: Introductionmentioning

confidence: 99%

Relativistic semiempirical-core-potential calculations ofSr+using Laguerre and Slater spinors

et al. 2016

View full text Add to dashboard Cite

show abstract

“…This method is used to predict atomic properties for a large variety of systems, including new clock proposals with highly-charged ions [11]. To the best of our knowledge, only two high-precision benchmarks exists for any of the properties involving quadrupole matrix elements for systems with more than one valence electron [12,13], neither of which involve quadrupole moment measurements. Present measurements directly demonstrate the validity of the theory and the corresponding evaluation of uncertainties in the calculated quadrupole moments, essential for guiding future experiments with highly charged ions and other systems [14].…”

Section: Introductionmentioning

confidence: 99%

Precision measurement of the $^3D_1$ and $^3D_2$ quadrupole moments in Lu$^+$

Kaewuam,

Tan,

Zhang

et al. 2020

Preprint

Self Cite

View full text Add to dashboard Cite

Precision measurements of the Lu + 3 D1 and 3 D2 quadrupole moments have been carried out giving Θ( 3 D1) = 0.63862(74) ea 2 0 and Θ( 3 D2) = 0.8602( 14) ea 2 0 , respectively. The measurements utilize the differential shift between ions in a multi-ion crystal so that effects of external field gradients do not contribute leaving only the well defined Coulomb interaction. At this level of precision, hyperfinemediated corrections will likely be important.

show abstract

Polarizabilities, dispersion coefficients, and retardation functions at the complete basis set CCSD limit: From Be to Ba plus Yb

Visentin

Buchachenko

2019

The Journal of Chemical Physics

View full text Add to dashboard Cite

Static and dynamic polarizabilities of alkaline earth metal atoms Be-Ba and of the Yb atom, as well as dispersion coefficients and retardation functions for their long-range interactions, are used as a benchmark for the restricted coupled cluster method with singles and doubles (CCSD) and noniterative triples added [CCSD(T)] and related polarization propagator CCSD(3) methods at the complete basis set limit. The latter is attained through the sequence of the augmented correlation-consistent polarized weighted core valence n-zeta basis sets with the exact 2-component approximation for the scalar relativistic effects and with the small-core effective core potentials (for Ca, Sr, and Ba). At the converged level of core correlation treatment, the finite-field CCSD(T) method reproduces the best available data for the static dipole and quadrupole polarizabilities better than 1% and 4%, respectively. Systematic cancelation of the triple contribution in the CCSD(3) calculations of the dynamic polarizabilities of alkaline earth metal atoms makes their dispersion coefficients accurate within 3%. The retardation functions are computed and used for the analysis of the long-range interactions in the homonuclear dimers. Implications to accurate ab initio calculations of the global interaction potentials are discussed.

show abstract

Calculation of quadrupole polarizabilities with combined configuration interaction and coupled-cluster method

Cited by 10 publications

References 34 publications

Relativistic semiempirical-core-potential calculations ofSr+using Laguerre and Slater spinors

Relativistic semiempirical-core-potential calculations ofSr+using Laguerre and Slater spinors

Precision measurement of the $^3D_1$ and $^3D_2$ quadrupole moments in Lu$^+$

Polarizabilities, dispersion coefficients, and retardation functions at the complete basis set CCSD limit: From Be to Ba plus Yb

Contact Info

Product

Resources

About