<i>Ab initio</i>calculations of transition amplitudes and hyperfine<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>A</mml:mi></mml:math>and<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>B</mml:mi></mml:math>constants of Ga iii

Dutta, Narendra Nath; Roy, Sourav; Dixit, Gopal; Majumder, Sonjoy

doi:10.1103/physreva.87.012501

Cited by 14 publications

(18 citation statements)

References 33 publications

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“…where usual notations are used [23]. Now we add three extra terms in this Hamiltonian for the isotope shift.…”

Section: A Isotope Shift Matrix Elements and Implementationmentioning

confidence: 99%

“…Here, T and S v are the excitation cluster operators [23] for core only and core-valence orbitals, respectively. The matrix elements for the Dirac-Coulomb-Breit Hamiltonian have been discussed in our earlier papers [13,23].…”

Section: A Isotope Shift Matrix Elements and Implementationmentioning

confidence: 99%

“…The matrix elements for the Dirac-Coulomb-Breit Hamiltonian have been discussed in our earlier papers [13,23]. Although the matrix elements of different parts of the IS are discussed in many references, such as Refs.…”

Section: A Isotope Shift Matrix Elements and Implementationmentioning

confidence: 99%

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Ab initioestimations of the isotope shift for the first three elements of the K isoelectronic sequence

Roy

Majumder

2015

Phys. Rev. A

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Isotope shifts (ISs) of D 1 (ns 2 S 1/2 → np 2 P 1/2 ) and D 2 (ns 2 S 1/2 → np 2 P 3/2 ) transitions for the first three elements of the K isoelectronic sequence are calculated with all-order correlated relativistic coupled-cluster theory. To get precise ab initio results, all the orbitals of the reference states have been optimized by a linear regression technique. Some of the important IS estimations reported here were not available in literature. Interesting features of odd-even staggering and magic neutron number effects are also observed in the case of volume shift calculations. Energy-level corrections for a few levels due to a change in the nuclear model from a point nucleus to a Fermi nucleus have been studied with interesting correlation features and compared with other theoretical results available in literature.

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“…where usual notations are used [23]. Now we add three extra terms in this Hamiltonian for the isotope shift.…”

Section: A Isotope Shift Matrix Elements and Implementationmentioning

confidence: 99%

Section: A Isotope Shift Matrix Elements and Implementationmentioning

confidence: 99%

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Ab initioestimations of the isotope shift for the first three elements of the K isoelectronic sequence

Roy

Majumder

2015

Phys. Rev. A

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“…The single particle reduced matrix elements of the electric dipole (E1), electric quadrupole (E2), magnetic dipole (M 1) transition operators and the operators associated with the magnetic dipole (A) and electric quadrupole hyperfine (B) constants are given in Ref. [41].…”

Section: Theorymentioning

confidence: 99%

Relativistic coupled-cluster calculations on hyperfine structures and electromagnetic transition amplitudes of In iii

2014

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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 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.

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“…Moreover, taken in its 2p 4 3p excited configuration, neutral fluorine consitutes a difficult target for many-body approaches that are often restricted to single-or two-valence atoms or ions [26][27][28]. The coupled-cluster theory is promising [29][30][31] but investigation of hyperfine structures in more complex systems remains scarce [32]. Although further developments might be expected [33][34][35][36], the traditional multi-configuration methods combined with configuration interaction in their non relativistic [14,37,38] and relativistic [39][40][41][42][43] versions keep a respectable place in the ranking of ab initio methods for hyperfine structures calculations.…”

Section: Introductionmentioning

confidence: 99%

Relativistic effects on the hyperfine structures of2p4(3P)3p2Do,<

Carette

Nemouchi

et al. 2013

Phys. Rev. A

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The hyperfine interaction constants of the 2p 4 ( 3 P )3p 2 D o 3/2,5/2 , 4 D o 1/2−7/2 and 4 P o 1/2−5/2 levels in neutral fluorine are investigated theoretically. Large-scale calculations are carried out using the multiconfiguration Hartree-Fock (MCHF) and Dirac-Hartree-Fock (MCDHF) methods. In the framework of the MCHF approach, the relativistic effects are taken into account in the Breit-Pauli approximation using non relativistic orbitals. In the fully relativistic approach, the orbitals are optimized using the Dirac-Coulomb Hamiltonian with correlation models inspired by the non relativistic calculations. Higher-order excitations are captured through multireference configuration interaction calculations including the Breit interaction. In a third (intermediate) approach, the Dirac-Coulomb-Breit Hamiltonian matrix is diagonalized in a relativistic configuration space built with non relativistic MCHF radial functions converted into Dirac spinors using the Pauli approximation. The magnetic dipole hyperfine structure constants calculated with the three relativistic models are consistent and reveal unexpectedly large effects of relativity for 2 D o 5/2 , 4 P o 3/2 and 4 P o 5/2 . The agreement with the few available experimental values is satisfactory. The strong J-dependence of relativistic corrections on the hyperfine constants is investigated through the detailed analysis of the orbital, spin-dipole and contact relative contributions calculated with the non relativistic magnetic dipole operator.

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Ab initiocalculations of transition amplitudes and hyperfineAandBconstants of Ga iii

Cited by 14 publications

References 33 publications

Ab initioestimations of the isotope shift for the first three elements of the K isoelectronic sequence

Ab initioestimations of the isotope shift for the first three elements of the K isoelectronic sequence

Relativistic coupled-cluster calculations on hyperfine structures and electromagnetic transition amplitudes of In iii

Relativistic effects on the hyperfine structures of2p4(3P)3p2Do,<

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