Ab initiorelativistic many-body calculation of hyperfine splittings of<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline">mml:mrowmml:msupmml:mrowmml:mmultiscriptsmml:mtextC<mml:mprescripts /><mml:none />mml:mrowmml:mn113<... (original) (raw)
Related papers
Ab initio relativistic many-body calculation of hyperfine splitting of ^113Cd^+
2007
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 theory (CC) in the relativistic framework. The calculated hyperfine splitting are well in agreement with recent experimental results. We have also carried out the lifetimes of the 5p2P1=2 and 5p2P3=2 states, which are in well agreement with recent experimental result (Moehring et al., PRA 73 023413, 2006). The roles of different electron correlation effects in the determination of these quantities are discussed and their contributions are presented in the CC terms.
Ab initio relativistic many-body calculation of hyperfine splittings of ^{113}Cd
Physical Review A, 2008
This work presents accurate ab initio determination of the hyperfine splitting for the ground state and a few low-lying excited states of 113 Cd + ; important candidate for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The hyperfine energy splittings, calculated first time in literature, are in good agreement with the recent experimental results. We have also carried out the lifetimes of the 5p 2 P 1/2 and 5p 2 P 3/2 states, which are in good agreement with the available experimental results. The role of different electron correlation effects in the determination of these quantities are discussed and their contributions are presente in the CC terms.
Ab initio relativistic many-body calculation of hyperfine splittings of C113d
Physical Review A, 2008
This work presents accurate ab initio determination of the hyperfine splitting for the ground state and a few low-lying excited states of 113 Cd + ; important candidate for the frequency standard in the microwave region, using coupled-cluster theory (CC) in the relativistic framework. The hyperfine energy splittings, calculated first time in literature, are in good agreement with the recent experimental results. We have also carried out the lifetimes of the 5p 2 P 1/2 and 5p 2 P 3/2 states, which are in good agreement with the available experimental results. The role of different electron correlation effects in the determination of these quantities are discussed and their contributions are presente in the CC terms.
Relativistic coupled cluster calculations on neutral and highly ionized atoms
International Journal of Quantum Chemistry, 1990
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 estimated to be 106.8 GHz. A shift of almost 1.9 GHz of the above frequency has been calculated due to modified nuclear dipole moment. This splitting result shows its applicability as communication band and frequency standards at 10 −11 sec. Correlations study of hyperfine constants indicates a few distinct features of many-body effects in the wave-functions in and near the nuclear region of this ion. Astrophysically important forbidden transition amplitudes are estimated for the first time in the literature to our knowledge. The calculated oscillator strengths of few allowed transitions are compared with recent experimental and theoretical results wherever available.
Physical Review A, 2014
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 estimated to be 106.8 GHz. A shift of almost 1.9 GHz of the above frequency has been calculated due to modified nuclear dipole moment. This splitting result shows its applicability as communication band and frequency standards at 10 −11 sec. Correlations study of hyperfine constants indicates a few distinct features of many-body effects in the wave-functions in and near the nuclear region of this ion. Astrophysically important forbidden transition amplitudes are estimated for the first time in the literature to our knowledge. The calculated oscillator strengths of few allowed transitions are compared with recent experimental and theoretical results wherever available.
Extensive and accurate relativistic calculations of atomic data on the 83Kr I spectrum
Journal of Physics Communications, 2018
We provide an extensive, accurate and complete new spectroscopic data set for many levels belonging to the intermediate perturbing Rydberg series ns[K] J (5n8), nd[K] J (4n7) and the autoionizing Rydberg series np[K] J (5n7) and nf[K] J (4n5) relative to the ground state 4p 6 1 S 0 for neutral krypton-83 isotope. The data set is composed of the energy levels, the oscillator strengths f , ij the radiative transition rates A , ij the Landé g-factors, the magnetic dipole and electric quadrupole hyperfine constants. The values of these spectroscopic parameters are calculated in the multiconfiguration Dirac-Hartree-Fock (MCDHF) framework. The calculations are carried out in the active space where the electron correlation effects, contributions from relativistic configuration interaction (RCI), the quantum electrodynamics (QED) effects with transverse photon Breit interaction and vacuum photon polarization, specific mass shift and self-energy corrections are included. In addition, we provide the oscillator strengths and transition rates in Coulomb and Babushkin gauges for the 4p 5 (2 P)4d-4p 5 (2 P)5p, 4p 5 (2 P)5s-4p 5 (2 P)5p, 4p 5 (2 P)6s-4p 5 (2 P)5p, 4p 5 (2 P)4d-4p 5 (2 P)44f, 4p 5 (2 P)5d-4p 5 (2 P)4f, 4p 5 (2 P)5d-4p 5 (2 P)6p, 4p 5 (2 P)7s-4p 5 (2 P)6p, 4p 5 (2 P)4d-4p 5 (2 P)5f, 4p 5 (2 P)5d-4p 5 (2 P)5f, 4p 5 (2 P)6d-4p 5 (2 P)5f, 4p 5 (2 P)7p-4p 5 (2 P)6d and 4p 5 (2 P)8s-4p 5 (2 P)7p transition arrays. Extensive comparisons with other experimental and theoretical data from the reference databases are carried out in order to judge the reliability of our data. These comparisons indicate that our results are accurate. The present spectroscopic data may be useful for line identification in observed spectra as well as modelling and diagnostics of astrophysical and fusion plasmas.
Relativistic coupled-cluster calculations of spectroscopic and chemical properties for element 120
Chemical Physics Letters, 2013
The authors present the results of their calculation for the parity nonconserving 5p 6 6s 1/2 → 5p 6 5d 3/2 transition in Ba + using the relativistic coupled-cluster theory in the singles, doubles, and partial triples approximation. The contributions from the leading intermediate states are explicitly considered. It is found that the largest contribution comes from the ͉5p 6 6p 1/2 ͘ state. Their results are in reasonable agreement with other calculations.
Many-body effects in hyperfine interactions in 205 Pb
European Physical Journal D, 2007
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 theory in the singles, doubles and partial triples approximation. The trends of these effects are found to be different from atomic systems that have been studied earlier.