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Ionization potentials, excitation energies, transition properties, and hyperfine structure constants of the low-lying $3p^6 3d^{9} \ ^2D_{5/2}$, $3p^6 3d^{9} \ ^2D_{3/2}$, $3p^5 3d^{10} \ ^2P_{3/2}$ and $3p^5 3d^{10} \ ^2P_{1/2}$ atomic…

Atomic Physics · Physics 2021-12-01 Dillip K. Nandy , B. K. Sahoo

Using the relativistic coupled-cluster method, we have calculated ionization potentials, E1 matrix elements and dipole polarizabilities of many low-lying states of Ca$^+$. Contributions from the Breit interaction are given explicitly for…

Atomic Physics · Physics 2015-05-13 B. K. Sahoo , B. P. Das , D. Mukherjee

We analyze the electric dipole moments (PDMs) and static electric dipole polarizabilities of the alkali--alkaline-earth (Alk-AlkE) dimers by employing finite-field coupled-cluster methods, both in the frameworks of non-relativistic and…

Atomic Physics · Physics 2022-06-29 R. Mitra , V. S. Prasannaa , B. K. Sahoo

Recent relativistic coupled-cluster (RCC) calculations of electric dipole moments (EDMs) of diamagnetic atoms due to parity and time-reversal violating (P,T-odd) interactions, that are essential ingredients for probing new physics beyond…

Atomic Physics · Physics 2018-05-23 B. K. Sahoo , B. P. Das

The study of long-range interactions is increasingly becoming essential due to its various applications in cold atomic physics. These interactions can be conveniently expressed in terms of dispersion coefficients. In the present work,…

Atomic Physics · Physics 2022-01-19 Neelam Shukla , Harpreet Kaur , Bindiya Arora , Rajesh Srivastava

In this study, accurate static dipole polarizability and hyperpolarizability are calculated for Al$^+$ ground state 3s$^{2}$ $^{1}$S$_{0}$ and excited state $3s3p$ $^{3}$P$_{J}$ with $J$=0, 1, 2. The finite-field computations use energies…

Atomic Physics · Physics 2015-06-17 Yan-mei Yu , Bing-bing Suo , Heng Fan

We review the Lorentz integral transform coupled-cluster method for the calculation of the electric dipole polarizability. We benchmark our results with exact hyperspherical harmonics calculations for 4He and then we move to a heavier…

A quasi-relativistic two-component approach for an efficient calculation of $\mathcal{P,T}$-odd interactions caused by a permanent electric dipole moment of the electron (eEDM) is presented. The approach uses a (two-component) complex…

Chemical Physics · Physics 2023-12-19 Konstantin Gaul , Robert Berger

We compute the electric dipole polarizability of 48Ca with an increased precision by including more correlations than in previous studies. Employing the coupled-cluster method we go beyond singles and doubles excitations and include…

Nuclear Theory · Physics 2018-08-01 Mirko Miorelli , Sonia Bacca , Gaute Hagen , Thomas Papenbrock

We use recently developed method of accurate atomic calculations which combines linearized single-double coupled cluster method with the configuration interaction technique to calculate ionisation potentials, excitation energies, static…

Atomic Physics · Physics 2017-02-01 V. A. Dzuba , V. V. Flambaum

Calculations of the static electric-dipole scalar and tensor polarizabilities are presented for two alkali atoms, Rb and Cs, for the $nS$, $nP_{1/2, 3/2}$, and $nD_{3/2, 5/2}$ states with large principal quantum numbers up to $n = 50$. The…

Atomic Physics · Physics 2016-09-21 V. A. Yerokhin , S. Y. Buhmann , S. Fritzsche , A. Surzhykov

The recently developed method combining the configuration interaction and the coupled-cluster method was demonstrated to provide accurate treatment of correlation corrections in divalent atomic systems [M.S.Safronova, M.G.Kozlov, and…

Atomic Physics · Physics 2013-06-12 S. G. Porsev , M. S. Safronova , M. G. Kozlov

The electric dipole and quadrupole polarizabilities of the $5s5p~^3\!P_1^o$ state and the $C_6$ and $C_8$ coefficients for the $^1\!S_0 +\, ^1\!S_0$ and $^1\!S_0 +\, ^3\!P_1^o$ dimers of strontium are calculated using a high-precision…

Atomic Physics · Physics 2015-06-22 S. G. Porsev , M. S. Safronova , Charles W. Clark

Spin-polarization effects of an ultrarelativistic electron beam head-on colliding with an ultraintense two-color laser pulse are investigated comprehensively in the quantum radiation-dominated regime. We employ a Monte Carlo method, derived…

Plasma Physics · Physics 2019-09-18 Huai-Hang Song , Wei-Min Wang , Jian-Xing Li , Yan-Fei Li , Yu-Tong Li

Relativistic calculations of the induced proton polarization in quasifree electron scattering on $^{12}C$ are presented. Good agreement with the experimental data of Woo et al. is obtained. The relativistic calculations yield a somewhat…

Nuclear Theory · Physics 2009-10-31 J. I. Johansson , H. S. Sherif

We report the first results of ab initio relativistic correlation calculation of the effective electric field on the electron, E_eff, in the ground state of the HI$^+$ cation. This value is required for interpretation of the suggested…

Atomic Physics · Physics 2013-05-29 T. A. Isaev , N. S. Mosyagin , A. N. Petrov , A. V. Titov

The recently reported precise experimental determination of the dipole polarizability of the H_2^+ molecular ion ground state [P.L. Jacobson, R.A. Komara, W.G. Sturrus, and S.R. Lundeen, Phys. Rev. A 62, 012509 (2000)] reveals a discrepancy…

Atomic Physics · Physics 2009-11-06 V. I. Korobov

Coincidence scattering of polarized electrons from nuclei with polarization transfer to outgoing nucleons is studied within the context of relativistic mean field theory. Effects introduced by the dynamical enhancement of the lower…

This study investigates the interplay between relativistic effects and electron correlation effects on the first ionization energies of heavy atoms (Au through Rn, Z = 79-86). We perform two complementary analyses: (1) comparing…

Atomic Physics · Physics 2026-02-06 Mohamed Kahil , Fatima Fakih , Nabil Joudieh , Nidal Chamoun

The molecular polarizability describes the tendency of a molecule to deform or polarize in response to an applied electric field. As such, this quantity governs key intra- and inter-molecular interactions such as induction and dispersion,…

Chemical Physics · Physics 2025-10-06 David M. Wilkins , Andrea Grisafi , Yang Yang , Ka Un Lao , Robert A. DiStasio , Michele Ceriotti