Benchmark Calculations of Atomic Data for Modelling Applications

Klaus Bartschat (Drake University)

In recent years, much progress has been achieved in calculating reliable cross-section datasets for electron scattering from atoms and ions, in particular quasi-one and quasi-two electron systems such as H, He, the alkalis, and the alkaline-earth metals. Until recently, however, accurate calculations of electron collisions with more complex targets, such as the heavy noble gases Ne-Xe, have remained a significant challenge to theory. In this talk, we will illustrate with a few examples how the B-spline R-matrix (BSR) method with non-orthogonal orbitals [1-3] has been able to dramatically improve the quality of theoretical datasets for oscillator strengths [4] as well as electron collisions with numerous targets, including the heavy noble gases [5], and how these data were used successfully in modelling applications [6]. The most recent extension of the method, the B-spline R-matrix with Pseudo-States (BSRMPS) approach, includes a large number of pseudostates in the close-coupling expansion, thereby allowing for the fully non-perturbative treatment of highly correlated processes such as ionization and even ionization with simultaneous excitation [7].

Invited talk given at DAMOP12, Anheim, California, USA (06 June 2012)

  1.  O. Zatsarinny and K. Bartschat, J. Phys. B  37 (2004), 2173 and 4693
  2.  O. Zatsarinny, Comp. Phys. Commun.  174 (2006) 273
  3.  O. Zatsarinny and K. Bartschat, Phys. Rev. A  77 (2008) 062701
  4.  O. Zatsarinny and K. Bartschat, Phys. Scr. Rev.  T134 (2009) 014020.
  5.  K. Bartschat and O. Zatsarinny, Plasma Sources Sci. Technol.  (2011) 024012
  6.  D. Dodt, A. Dinklage, K. Bartschat, and O. Zatsarinny, New Journal of Physics  12 (2010) 073018
  7. O. Zatsarinny and K. Bartschat, Phys. Rev. Lett. 107 (2011) 023203
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