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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…

原子物理 · 物理学 2009-11-13 V. A. Dzuba , W. R. Johnson

We have investigated energies and spectroscopic properties such as lifetimes, $g_J$ factors, and hyperfine structure constants of the neutral atoms P through Mc belonging to Group-15, singly ionized atoms S$^+$ through Lv$^+$ of Group-16…

原子物理 · 物理学 2023-06-29 H. X. Liu , Y. M. Yu , B. B. Suo , Y. Liu , B. K. Sahoo

A version of the configuration interaction method, which has been recently developed to deal with large number of valence electrons, has been used to calculate magnetic dipole and electric quadrupole hyperfine structure constants for a…

原子物理 · 物理学 2024-02-21 V. A. Dzuba , V. V. Flambaum

Multiconfiguration Dirac-Hartree-Fock (MCDHF) and relativistic configuration interaction (RCI) calculations were performed for 28 and 78 states in neutral and singly ionized aluminium, respectively. In Al I, the configurations of interest…

原子物理 · 物理学 2018-12-26 A. Papoulia , J. Ekman , P. Jönsson

Multi-configurational approaches yield universal wave function parameterizations that can qualitatively well describe electronic structures along reaction pathways. For quantitative results, multi-reference perturbation theory is required…

化学物理 · 物理学 2016-09-08 Christopher J. Stein , Vera von Burg , Markus Reiher

We have developed an all particle Fock-space relativistic coupled-cluster method for two-valence atomic systems. We then describe a scheme to employ the coupled-cluster wave function to calculate atomic properties. Based on these…

原子物理 · 物理学 2011-01-11 B. K. Mani , D. Angom

Binding energies, quadrupole deformation parameters, spins and parities of the neutron-deficient odd $Z=N+1$ nuclei in the $A\sim 80$ region are calculated in the relativistic mean field approximation. The ground-state and low-lying…

核理论 · 物理学 2010-12-23 S. K. Patra , M. Del Estal , M. Centelles , X. Viñas

Accurate ab initio calculations of the energy levels of the superheavy elements Z=112 are presented. Relativistic Hartree-Fock and configuration interaction methods are combined with the many-body perturbation theory to construct the…

原子物理 · 物理学 2010-09-20 T. H. Dinh , V. A. Dzuba , V. V. Flambaum

Mercury (Hg) and superheavy element copernicium (Cn) are investigated using equation-of-motion relativistic coupled-cluster (EOM-RCC) and configuration interaction plus many-body perturbation theory (CI+MBPT) methods. Key atomic properties…

原子物理 · 物理学 2025-07-25 Hongxu Liu , Jize Han , Yanmei Yu , Yanfeng Ge , Yong Liu , Zhiguo Huang

The time irreversible evolution of the two-nucleus spin systems interacting with a magnetic field is analyzed in the framework of the subdynamics theory. The spin systems are determined by the H(1) and C(13) nuclei. The investigation is…

量子物理 · 物理学 2012-09-21 S. Eh. Shirmovsky

The interplay of the relativistic and correlation effects in the permanent electric dipole moments (PDMs) of the X2{\Sigma}+ ({\nu} = 0) electronic ground states of the alkaline earth monoflourides (BeF, MgF, CaF, SrF and BaF) has been…

原子物理 · 物理学 2016-04-20 V. S. Prasannaa , Sreerekha S , M. Abe , V. M. Bannur , B. P. Das

Hyperfine structures of $^{211}$Fr due to the interactions of magnetic dipole ($\mu$), electric quadrupole ($Q$) and magnetic octupole ($\Omega$) moments with the electrons are investigated using the relativistic coupled-cluster (RCC)…

核理论 · 物理学 2015-07-07 B. K. Sahoo

In this study a comprehensive calculations of energies, hyperfine structure constants, Land\'e g$_J$ factors and isotope shifts have been performed for the lowest 71 states of Na-like Ar$^{7+}$, Kr$^{25+}$ and Xe$^{43+}$ ions. Radiative…

原子物理 · 物理学 2025-01-22 Shikha Rathi , Lalita Sharma

We investigate electric quadrupole hyperfine structure constant ($B$) results in $^{135}$Ba$^+$ and $^{137}$Ba$^+$ and compare their ratios with the reported measurements of the ratio between the nuclear quadrupole moment ($Q$) values of…

原子物理 · 物理学 2015-06-15 B. K. Sahoo , M. D. Barrett , B. P. Das

The 6s-np_j (n=6-9) electric-dipole matrix elements and 6s-nd_j (n=5-7) electric-quadrupole matrix elements in Ba+ are calculated using the relativistic all-order method. The resulting values are used to evaluate ground state dipole and…

原子物理 · 物理学 2009-11-13 E. Iskrenova-Tchoukova , M. S. Safronova

The fully relativistic multiconfiguration Dirac--Hartree--Fock method is used to compute excitation energies and lifetimes for the 143 lowest states of the $3s^23p^3$, $3s3p^4$, $3s^23p^23d$, $3s3p^33d$, $3p^5$, $3s^23p3d^2$ configurations…

原子物理 · 物理学 2018-04-11 K. Wang , P. Jönsson , G. Gaigalas , L. Radžiūtė , P. Rynkun , G. Del Zanna , C. Y. Chen

In this article, the molecular permanent electric dipole moments and components of static dipole polarizabilities for the electronic ground state of singly charged aluminum monohalides are reported. The coupled-cluster method by considering…

原子物理 · 物理学 2024-06-18 Ankush Thakur , Renu Bala , H. S. Nataraj , V. S. Prasannaa

The hyperfine coupling constants of neutron deficient $^{37}$Ca were deduced from the atomic hyperfine spectrum of the $4s~^2S_{1/2}$ $\leftrightarrow$ $4p~^2P_{3/2}$ transition in Ca II, measured using the collinear laser spectroscopy…

By combining our theoretical calculation and recently measured electric quadrupole hyperfine structure constant of the $3d ^2D_{5/2}$ state in the singly ionized $^{43}$Ca, we determine its nuclear quadrupole moment to one percent accuracy.…

原子物理 · 物理学 2015-05-13 B. K. Sahoo

We investigate roles of electron correlation effects in the determination of the $g_j$ factors of the $4s ~ ^2S_{1/2}$, $4p ~ ^2P_{1/2}$, $4p ~ ^2P_{3/2}$, $3d ~ ^2D_{3/2}$, and $3d ~ ^2D_{5/2}$ states, representing to different parities…

原子物理 · 物理学 2017-07-26 B. K. Sahoo , Pradeep Kumar