An atomic multiconfigurational Dirac-Fock package

Grant, I P; McKenzie, Blair; Norrington, P. H.; Mayers, D. F.; Pyper, N.C.

doi:10.1016/0010-4655(80)90041-7

Cited by 1,759 publications

(659 citation statements)

References 10 publications

Supporting

Mentioning

641

Contrasting

Unclassified

Order By: Relevance

“…The ASF label Γ is usually assigned according to the γ i of the dominant CSF component. The CSFs are constructed from single-electron Dirac orbitals according to standard parity and angular momentum symmetry rules [39]. In the MCDHF approach, the coefficients c i and the CSFs are determined by solving the coupled MCDHF integro-differential equations, based on the H DC Hamiltonian and derived by using a variational approach [39], applying a self-consistent field (SCF) method.…”

Section: The Grasp2k Multi-configuration Dirac-hartree-fock Methodsmentioning

confidence: 99%

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations

Guo¹,

Grumer²,

Brage³

et al. 2016

J. Phys. B: At. Mol. Opt. Phys.

View full text Add to dashboard Cite

Abstract. Energies, transition rates, line strengths and lifetimes have been computed for all levels of the 4p 6 and 4p 5 4d configurations of W 38+ by using the multiconfiguration Dirac-Hartree-Fock method as well as relativistic many-body perturbation theory. We investigate systematically correlation, relativistic and QED effects on different properties, including excitation energies and transition rates. We demonstrate that it is important to include core-valence correlation of rather deep subshells (including 3d and 3p) to reach close to spectroscopic accuracy for the transition energies. We also show that high multipole transitions (E3, M2) are important for the lifetime of some metastable levels of 4p 5 4d ( 3 F 3 , 1 D 2 , 3 D 2 ). The present results are in good agreement with experiments and of considerable higher accuracy than what has been reached in previous theoretical works.

show abstract

Section: The Grasp2k Multi-configuration Dirac-hartree-fock Methodsmentioning

confidence: 99%

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations

Guo¹,

Grumer²,

Brage³

et al. 2016

J. Phys. B: At. Mol. Opt. Phys.

View full text Add to dashboard Cite

show abstract

“…As in our earlier work on several F-like [4,13] and Ne-like [14,15] ions, we adopt the fully relativistic GRASP (general-purpose relativistic atomic structure package) code of Grant et al [16] to determine the atomic structure, and subsequently to calculate energy levels and A-values. However, this earlier version has been significantly revised by Dr. P.H.…”

Section: Energy Levelsmentioning

confidence: 99%

Energy Levels and Radiative Rates for Transitions in F-like Sc XIII and Ne-like Sc XII and Y XXX

Aggarwal

2018

Atoms

View full text Add to dashboard Cite

Abstract:Energy levels, radiative rates and lifetimes are reported for F-like Sc XIII and Ne-like Sc XII and Y XXX for which the general-purpose relativistic atomic structure package (GRASP) has been adopted. For all three ions, limited data exist in the literature but comparisons have been made wherever possible to assess the accuracy of the calculations. In the present work, the lowest 102, 125 and 139 levels have been considered for the respective ions. Additionally, calculations have also been performed with the flexible atomic code (FAC) to (particularly) confirm the accuracy of energy levels.

show abstract

“…For the generation of wavefunctions we have adopted the GRASP (general-purpose relativistic atomic structure package) code, originally developed by Grant et al (1980) but revised by Dr. P. H. Norrington. It is a fully relativistic code, based on the jj coupling scheme, available at the website http://web.am.qub.ac.uk/DARC/, and has been successfully applied by us (and other workers) to a wide range of ions.…”

Section: Introductionmentioning

confidence: 99%

Energy levels, radiative rates and electron impact excitation rates for transitions in Fe xiv

Aggarwal

Keenan

2014

Monthly Notices of the Royal Astronomical Society

View full text Add to dashboard Cite

Energies and lifetimes are reported for the lowest 136 levels of Fe XIV, belonging to the (1s 2 2s 2 2p 6 ) 3s 2 3p, 3s3p 2 , 3s 2 3d, 3p 3 , 3s3p3d, 3p 2 3d, 3s3d 2 , 3p3d 2 and 3s 2 4 configurations. Additionally, radiative rates, oscillator strengths and line strengths are calculated for all electric dipole (E1), magnetic dipole (M1), electric quadrupole (E2) and magnetic quadrupole (M2) transitions. Theoretical lifetimes determined from these radiative rates for most levels show satisfactory agreement with earlier calculations, as well as with measurements. Electron impact excitation collision strengths are also calculated with the Dirac atomic R-matrix code (DARC) over a wide energy range up to 260 Ryd. Furthermore, resonances have been resolved in a fine energy mesh to determine effective collision strengths, obtained after integrating the collision strengths over a Maxwellian distribution of electron velocities. Results are listed for all 9180 transitions among the 136 levels over a wide range of electron temperatures, up to 10 7.1 K. Comparisons are made with available results in the literature, and the accuracy of the present data is assessed.

show abstract

An atomic multiconfigurational Dirac-Fock package

Cited by 1,759 publications

References 10 publications

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations

Energy Levels and Radiative Rates for Transitions in F-like Sc XIII and Ne-like Sc XII and Y XXX

Energy levels, radiative rates and electron impact excitation rates for transitions in Fe xiv

Contact Info

Product

Resources

About

An atomic multiconfigurational Dirac-Fock package

Cited by 1,759 publications

References 10 publications

Energy levels and radiative data for Kr-like W38+from MCDHF and RMBPT calculations

Energy levels and radiative data for Kr-like W38+from MCDHF and RMBPT calculations

Energy Levels and Radiative Rates for Transitions in F-like Sc XIII and Ne-like Sc XII and Y XXX

Energy levels, radiative rates and electron impact excitation rates for transitions in Fe xiv

Contact Info

Product

Resources

About

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations

Energy levels and radiative data for Kr-like W³⁸⁺from MCDHF and RMBPT calculations