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

✍ Scribed by J.W. Heggarty; M.P. Scott; N.S. Scott; P.G. Burke

• Book ID: 104109863
• Publisher: Elsevier Science
• Year: 1998
• Tongue: English
• Weight: 916 KB
• Volume: 114
• Category: Article
• ISSN: 0010-4655
• DOI: 10.1016/s0010-4655(98)00137-4

✦ Synopsis

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 (rl, r2) plane of the inner region is partitioned into a set of connected subregions and a global ~-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. @