4.2 Article

Benchmark calculations for near-threshold electron-impact excitation of krypton and xenon atoms

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IOP PUBLISHING LTD
DOI: 10.1088/0953-4075/43/7/074031

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  1. United States National Science Foundation [PHY-0757755, PHY-0555226]
  2. Teragrid allocations [TG-PHY090031]
  3. Division Of Physics
  4. Direct For Mathematical & Physical Scien [903818] Funding Source: National Science Foundation

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The recently developed semi-relativistic Breit-Pauli and fully relativistic Dirac-Coulomb versions of the B-spline R-matrix (close-coupling) approach with non-orthogonal orbitals have been used to calculate electron-impact excitation of the 4p(5)5s states in Kr and the 5p(5)6s states in Xe. Comparison of the predictions shows a substantial improvement in the agreement between theory and experiment over that achieved in previous semi-relativistic Breit-Pauli R-matrix calculations. For the Xe target, a fully relativistic treatment appears to be essential in the quest to quantitatively reproduce the wealth of near-threshold resonance features. While the overall agreement in the measured and calculated energy dependence of the angle-integrated and the angle-differential cross sections is excellent, some unexplained discrepancies of up to 50% remain regarding the absolute normalization.

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