Core-valence correlation effects on<i>E</i>1 and<i>E</i>2 decay rates in<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="normal">Ca</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math>

Vaeck, Nathalie; Godefroid, Michel; Fischer, Charlotte Froese

doi:10.1103/physreva.46.3704

Cited by 61 publications

(84 citation statements)

References 53 publications

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“…We compare these with previous calculations of Zeippen (1990), who used a two-step minimization procedure and semiempirical term energy corrections using the computer program SUPERSTRUCTURE, Ali & Kim (1988) who used the multiconfiguration Dirac-Fock formalism and Vaeck et al (1992). Our results are in good agreement (within ∼2%) with Zeippen (1990) and within ∼13% and ∼8% with respect to Ali & Kim (1988) and Vaeck et al (1992).…”

Section: Model Potentialsupporting

confidence: 67%

“…For the calculated oscillator strengths we choose the most complete and representative set of values as well as the most cited. We compare with previous calculations by Vaeck et al (1992) where they use a multiconfiguration Hartree-Fock method with core polarization included variationally (SECP) using a model potential of the form described first by Baylis (1977) and then reviewed by Hibbert (1989). We also compare with Theodosiou (1989) who used a Hartree-Slater (HS) core potential with semiempirical corrections, Guet & Johnson (1991) who used relativistic many-body theory and Brage et al (1993) using an orthogonal Breit-Pauli MCHF method.…”

Section: Model Potentialmentioning

confidence: 99%

“…Oscillator strengths for Ca ii. The oscillator strengths from previous calculations of Vaeck et al (1992), Theodosiou (1989), Guet & Johnson (1991) and Brage et al (1993), and experimental data from Gallagher (1967) are also given. Zeippen (1990), Ali & Kim (1988) and Vaeck et al (1992 correlation functions for the bound (e + ion) system, and A is the antisymetrization operator.…”

Section: Scattering Calculationsmentioning

confidence: 99%

“…The oscillator strengths from previous calculations of Vaeck et al (1992), Theodosiou (1989), Guet & Johnson (1991) and Brage et al (1993), and experimental data from Gallagher (1967) are also given. Zeippen (1990), Ali & Kim (1988) and Vaeck et al (1992 correlation functions for the bound (e + ion) system, and A is the antisymetrization operator. The variational procedure gives rise to a set of coupled integro-differential equations that are solved with the R-matrix technique (Burke et al 1971;Berrington et al 1978Berrington et al , 1995 within a box of radius r ≤ a.…”

Section: Scattering Calculationsmentioning

confidence: 99%

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Atomic data from the IRON project

Meléndez

Bautista²,

Badnell

2007

A&A

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Aims. This work reports radiative transition rates and electron impact excitation rate coefficients for levels of the n = 3, 4, 5, 6, 7, 8 configurations of Ca ii.Methods. The radiative data were computed using the Thomas-Fermi-Dirac central potential method in the frozen core approximation and includes the polarization interaction between the valence electron and the core using a model potential. This method allows for configuration interactions (CI) and relativistic effects in the Breit-Pauli formalism. Collision strengths in LS-coupling were calculated in the close coupling approximation with the R-matrix method. Then, fine structure collision strengths were obtained by means of the intermediate-coupling frame transformation (ICFT) method which accounts for spin-orbit coupling effects.Results. We present extensive comparisons with the most recent calculations and measurements for Ca ii as well as a comparison between the core polarization results and the "unpolarized" values. We find that core polarization affects the computed lifetimes by up to 20%. Our results are in very close agreement with recent measurements for the lifetimes of metastable levels. The present collision strengths were integrated over a Maxwellian distribution of electron energies and the resulting effective collision strengths are given for a wide range of temperatures. Our effective collision strengths for the resonance transitions are within ∼11% from previous values derived from experimental measurements, but disagree with later computations using the distorted wave approximation.

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Section: Model Potentialsupporting

confidence: 67%

Section: Model Potentialmentioning

confidence: 99%

Section: Scattering Calculationsmentioning

confidence: 99%

Section: Scattering Calculationsmentioning

confidence: 99%

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Atomic data from the IRON project

Meléndez

Bautista²,

Badnell

2007

A&A

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“…The atomic structure package opened new possibilities and triggered intense activity. In the following years important results were published in many areas, often in collaboration with experimentalists [15,16,17,18]. The codes of the MCHF atomic structure package were later modified for large-scale computation on parallel systems using Message Passing Interface (MPI) [19].…”

Section: Computational Atomic Structurementioning

confidence: 99%

Accurate transition probabilities from large-scale multiconfiguration calculations - A tribute to Charlotte Froese Fischer

Jönsson¹,

Godefroid²,

Gaigalas³

et al. 2013

AIP Conference Proceedings

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Abstract. The development of multiconfiguration computer packages for atomic structure calculations is reviewed with special attention to the work of Charlotte Froese Fischer. The underlying theory is described along with methodologies to choose basis expansions of configuration state functions. Calculations of energies and transitions rates are presented and the accuracy of the results is assessed. Limitations of multiconfiguration methods are discussed and it is shown how these limitations can be circumvented by a division of the original large-scale computational problem into a number of smaller problems.

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