<i>Ab initio</i>relativistic many-body calculations for the Hg 6<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msup><mml:mrow><mml:mi mathvariant="italic">p</mml:mi></mml:mrow><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math>resonances

Cai, Ziyong; Beck, Donald R.; Perger, Warren F.

doi:10.1103/physreva.43.4660

Cited by 15 publications

(14 citation statements)

References 19 publications

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“…The form of the wave function is dictated by first-order perturbation theory and its parameters (Z', CI coefficients) are 'Present address: Department of Quantum Engineering and System Science, University of Tokyo, Tokyo 113,Japan. determined by the energy variational principle [5,7,15]. Once a reasonably accurate description of the energy is obtained, the configuration-state functions important for hyperfine structure are included.…”

Section: Introductionmentioning

confidence: 99%

Hyperfine-structure studies of Nb ii: Experimental and relativistic configuration-interaction results

et al. 1995

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We report an experimental and theoretical study of the hyperfine structure (hfs) in various metastable states in Nb u. Hyperfine structures of five levels in Nb II have been measured using a combination of the laser-rf double resonance and laser-induced fiuorescence methods in a collinear laserion-beam geometry. Theoretically, for J=2, a multireference calculation of energies and hfs based on a relativistic configuration-interaction methodology of the lowest ten levels in the (4d +5s) manifold is reported.The average energy error is 450 cm '. Many of the hyperfine constants show large changes from the Dirac-Fock values and the magnetic dipole constant has a 4% accuracy for the one J =2 level measured.We have also identified all the core-valence and core-core effects that dominate the energy differences and hfs.PACS number(s): 32.10. Fn, 32.30.Bv, 31.30.Cxs, 31.30.Jv

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Section: Introductionmentioning

confidence: 99%

Hyperfine-structure studies of Nb ii: Experimental and relativistic configuration-interaction results

et al. 1995

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“…The RCI procedure produces wave functions and energies for the given state. In the case of states lying in the continuum (final states here), we separate ψ into a localized (bound) part φ and a continuum part ψ E i and employ a Fano-like procedure [6]. The interaction between the parts results in the energy shift in the final state localized energy, E loc , which can be determined [6] by the equation:…”

Section: Methodsmentioning

confidence: 99%

“…The Auger shift in the 1s 4p 6 state has also been taken into account. We made the reasonable assumption that the important open channels in Br I are the same as in Kr II [1,15].…”

Section: Br Imentioning

confidence: 99%

The 1s photoabsorption transitions in Br I and Br II

Pan¹,

Beck²

2006

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

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Relativistic configuration interaction calculations have been performed for the 1s→np (n=4-8) photoabsorption transitions in Br I and Br II and transition energies and transition probabilities have been evaluated. These data are necessary to interpret the experiment photoabsorption spectra. The K edge energy of Br I and Br II have also been computed and compared to the existing values when available.

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“…As usual [16], good estimates can be obtained for the virtual Z* by adjusting them to yield the same (r ) as the MCDF spinors they are replacing (4d, 5s in the valence space). While formally the virtual orbital symmetries (inajor component) would be expected [31] to have 1~6 , we find it is sufficient to have I + 4 here.…”

Section: Calculationsmentioning

confidence: 99%

Multireference relativistic configuration-interaction calculations for (d+s)ntransition-metal atomic states: Application to Zr ii hyperfine structure

Beck

Datta

1993

Phys. Rev. A

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Our relativistic configuration-interaction (RCI) methodology has been extended to multireference cases, and improved to permit the construction of angular-momentum functions of arbitrary size, and to minimize the number of vectors needed with each configuration. We report RCI calculations on the fine (fs) and hyperfine (hfs) structure for the (d+s) J=0.5 and 1.5 levels of ZrII. The average fs error is 0.075 eV, and 17% for hfs, when compared to available experiment. These results indicate that it is possible to correctly position all levels of (d +s)" configurations in the transition-metal atoms.PACS number(s): 31.30. Gs, 31.20.Tz, 31.30.Jv

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Ab initiorelativistic many-body calculations for the Hg 6p2resonances

Cited by 15 publications

References 19 publications

Hyperfine-structure studies of Nb ii: Experimental and relativistic configuration-interaction results

Hyperfine-structure studies of Nb ii: Experimental and relativistic configuration-interaction results

The 1s photoabsorption transitions in Br I and Br II

Multireference relativistic configuration-interaction calculations for (d+s)ntransition-metal atomic states: Application to Zr ii hyperfine structure

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