Parallel quantum scattering calculations applied to the dynamics of elementary reactions
A consolidated approach to the problem of integrating the full dimensional time independent Schrödinger equation consists of expanding the solution in terms of surface functions of the bond coordinates. The construction of these functions is a computational task difficult to parallelize. In this paper we discuss a successful attempt adopting a processors farm parallel model implemented using MPI.
Unable to display preview. Download preview PDF.
- 3.A. Laganà, S. Crocchianti, G. Ochoa de Aspuro, R. Gargano, G.A. Parker, Parallel time independent quantum calculations of atom diatom reactivity, Lecture Notes in Computer Science 1041 (1995) 361–370.Google Scholar
- 4.M. Snir, S. Otto, S. Huss-Lederman, D. Walker, J. Dongarra, MPI: The complete reference, The MIT Press, Cambridge, Mass. (1996).Google Scholar
- 5.G. C. Fox, M. Johnson, G. Lyzenga, S. Otto, J. Salmon, D. Walker, Solving problems on concurrent processors, Prentice Hall, Englewood Cliff (1988).Google Scholar