Computational aspects of the two-dimensional propagation of R-matrices on MPPs

J. W. Heggarty*, M. P. Scott, N. S. Scott, P. G. Burke

*Corresponding author for this work

Research output: Contribution to journalArticle

7 Citations (Scopus)

Abstract

The simulation of electron collisions, at intermediate energies, with atoms, ions and molecules in highly excited Rydberg states is a physically important and computationally challenging problem. A suitable computational technique, to meet this challenge for the general two-electron problem, involves an adaptation of the intermediate energy R-matrix approach, in which the (r1, r2) plane of the inner region is partitioned into a set of connected subregions and a global ℜ-matrix is propagated, in two dimensions, across this plane. In this paper we examine the computational aspects of this technique and, in particular, describe a parallel strategy for exploiting the architecture of distributed memory parallel computers.

Original languageEnglish
Pages (from-to)195-209
Number of pages15
JournalComputer Physics Communications
Volume114
Issue number1-3
Publication statusPublished - 01 Nov 1998

Keywords

  • Atomic collisions
  • Intermediate energy
  • MPP
  • Parallelization
  • R-matrix

ASJC Scopus subject areas

  • Hardware and Architecture
  • Physics and Astronomy(all)

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