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Hyperfine constants and anomalies of ground as well as few low lying excited states of $^{113,115,117}$In III are studied with highly correlated relativistic coupled-cluster theory. The ground state hyperfine splitting of $^{115}$In III is…

Atomic Physics · Physics 2015-06-18 Sourav Roy , Narendra Nath Dutta , Sonjoy Majumder

This work presents a first time accurate calculation of the magnetic dipole hyperfine structure constants for the ground state and some low-lying excited states of Pb$^+$. By comparing different levels of approximation with experimental…

Atomic Physics · Physics 2009-11-10 Bijaya K. Sahoo , Rajat K. Chaudhuri , B. P. Das , Holger Merlitz , Debashis Mukherjee

Ab initio calculations have been carried out to study the magnetic dipole and electric quadrupole hyperfine structure constants of $^{205}$Pb$^+$. Many-body effects have been considered to all orders using the relativistic coupled-cluster…

Atomic Physics · Physics 2015-06-26 Sonjoy Majumder , B. K. Sahoo , R. K. Chaudhuri , B. P. Das , D. Mukherjee

Accurate {\it ab initio} calculations have been carried out to study the valence electron removal energies and oscillator strengths of astrophysically important electromagnetic transitions of quadruply ionized vanadium, $V^{4+}$. Many…

Atomic Physics · Physics 2009-11-13 Gopal Dixit , B. K. Sahoo , P. C. Deshmukh , R. K. Chaudhuri , Sonjoy Majumder

Iron-sulfur clusters conduct a wide variety of biochemical reactions that are conserved across all domains of life. The hyperfine structure of reactive ligands of these clusters can be studied experimentally and theoretically by means of…

Chemical Physics · Physics 2025-08-22 William C. Robinson , Victoria Pascutti , David A. Hall , Martín A. Mosquera

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…

Atomic Physics · Physics 2009-11-13 V. A. Dzuba , W. R. Johnson

The relativistic coupled-cluster theory has been employed to calculate the magnetic dipole and electric quadrupole hyperfine structure constants for the stable isotopes $^{45}$Sc and $^{89}$Y. The role of electron correlation is found to be…

Atomic Physics · Physics 2009-11-11 Bijaya K. Sahoo , Thomas Beier , B. P. Das , R. K. Chaudhuri , Debashis Mukherjee

Spectroscopic properties, useful for plasma diagnostics and astrophysics, of a few rubidium-like ions are studied here. We choose one of the simplest, but correlationally challenging series where $d-$ and $f-$ orbitals are present in the…

Atomic Physics · Physics 2018-01-17 Arghya Das , Anal Bhowmik , Narendra Nath Dutta , Sonjoy Majumder

The low-lying n(=3,4,5)d $^2D_{5/2}$ states alkaline earth ions are of vital importance in a number of different physical applications. The hyperfine structure constants of these states are characterized by unusually strong electron…

Atomic Physics · Physics 2015-06-26 B. K. Sahoo , C. Sur , T. Beier , B. P. Das , R. K. Chaudhuri , D. Mukherjee

We demonstrate the importance of electron correlation effects in the hyperfine structure constants of many low-lying states in $^{210}$Fr and $^{212}$Fr. This is achieved by calculating the magnetic dipole and electric quadrupole hyperfine…

Atomic Physics · Physics 2015-05-20 B. K. Sahoo , D. K. Nandy , B. P. Das , Y. Sakemi

Quasi-forbidden electronic transitions in atoms and quasi-degenerate vibronic transitions in molecules serve as powerful probes of hypothetical temporal variations of fundamental constants. Computation of the sensitivity of a transition to…

Chemical Physics · Physics 2025-11-17 Carsten Zülch , Konstantin Gaul , Robert Berger

This work presents accurate {\it ab initio} determination of the magnetic dipole (M1) and electric quadrupole (E2) hyperfine structure constants for the ground and a few low-lying excited states in $^{67}$Zn$^{+}$, which is one of the…

Atomic Physics · Physics 2009-11-13 Gopal Dixit , H. S. Nataraj , B. K. Sahoo , R. K. Chaudhuri , Sonjoy Majumder

Hyperfine-structure constants of odd Ra$^{+}$ due to the interactions of nuclear magnetic dipole, electric quadrupole, and magnetic octupole moments with the electrons are investigated in the framework of relativistic coupled-cluster method…

Atomic Physics · Physics 2021-03-16 Fei-Chen Li , Yong-Bo Tang , Hao-Xue Qiao , Ting-Yun Shi

We study the electron correlation effects in the calculations of isotope shifts in Na and Mg+ using the relativistic coupled-cluster method. The trends of the correlation effects are explicitly discussed and comparison of the present…

Atomic Physics · Physics 2010-07-29 B. K. Sahoo

We demonstrate that several metastable excited states in Hf$~$II, Hf$~$IV and W$~$VI ions may be good clock states since they are sufficiently long-living and are not sensitive to the perturbations. Cooling E1 transitions are available.…

Atomic Physics · Physics 2022-09-20 Saleh O. Allehabi , V. A. Dzuba , V. V. Flambaum

This work presents accurate ab initio determination of the hyperfine splitting for the ground state and few low-lying excited states of 113Cd+; important candidates for the frequency standard in the microwave region, using coupled-cluster…

Atomic Physics · Physics 2009-11-13 Gopal Dixit , H. S. Nataraj , B. K. Sahoo , R. K. Chaudhuri , Sonjoy Majumder

We present and analyze results of the relativistic coupled-cluster calculation of energies, hyperfine constants, and dipole matrix elements for the $2s$, $2p_{1/2}$, and $2p_{3/2}$ states of Li atom. The calculations are complete through…

Atomic Physics · Physics 2011-07-13 A. Derevianko , S. G. Porsev , K. Beloy

Level energies, wavelengths, electric dipole, magnetic dipole, electric quadrupole, and magnetic quadrupole transition rates, oscillator strengths, and line strengths from combined relativistic configuration interaction and many-body…

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…

Chemical Physics · Physics 2016-09-08 Christopher J. Stein , Vera von Burg , Markus Reiher

Here we report on accurate ab initio calculations to study astrophysically important electromagnetic transition parameters among different low-lying states of Sn IV. Our ab initio calculations are based on the sophisticated relativistic…

Atomic Physics · Physics 2018-05-02 Swapan Biswas , Arghya Das , Anal Bhowmik , Sonjoy Majumder
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