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PAMOP2: State-of-the-Art Computations for Atomic, Molecular and Optical Processes

In: High Performance Computing in Science and Engineering '19

Author

Listed:
  • B. M. McLaughlin

    (Queen’s University Belfast, Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP), School of Mathematics & Physics)

  • C. P. Ballance

    (Queen’s University Belfast, Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP), School of Mathematics & Physics)

  • R. T. Smyth

    (Queen’s University Belfast, Centre for Theoretical Atomic, Molecular and Optical Physics (CTAMOP), School of Mathematics & Physics)

  • M. S. Pindzola

    (Auburn University, Department of Physics)

  • P. C. Stancil

    (University of Georgia, Department of Physics and Astronomy and the Center for Simulational Physics)

  • J. F. Babb

    (Institute for Theoretical Atomic, Molecular and Optical Physics, Center for Astrophysics | Harvard & Smithsonian)

  • A. Müller

    (Justus-Liebig-Universität Giessen, Institut für Atom- und Molekülphysik)

Abstract

Our prime computational effort is to support current and future measurements of atomic photoionization cross-sections at various synchrotron radiation facilities, and ion-atom collision experiments, together with plasma, fusion and astrophysical applications. We solve the Schrödinger or Dirac equation using the R-matrix method from first principles. A time-dependent close coupling approach is used to investigate ion-atom excitation and electron-impact ionization. Finally, we present cross-sections and rates for molecule-molecule interactions and radiative association reactions between atoms of interest in astrophysics.

Suggested Citation

  • B. M. McLaughlin & C. P. Ballance & R. T. Smyth & M. S. Pindzola & P. C. Stancil & J. F. Babb & A. Müller, 2021. "PAMOP2: State-of-the-Art Computations for Atomic, Molecular and Optical Processes," Springer Books, in: Wolfgang E. Nagel & Dietmar H. Kröner & Michael M. Resch (ed.), High Performance Computing in Science and Engineering '19, pages 33-63, Springer.
    • Handle: RePEc:spr:sprchp:978-3-030-66792-4_3
    DOI: 10.1007/978-3-030-66792-4_3
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