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Parallel quantum scattering calculations applied to the dynamics of elementary reactions

  • Alessandro Bolloni
  • Antonio Riganelli
  • Stefano Crocchianti
  • Antonio Laganà
Conference paper
Part of the Lecture Notes in Computer Science book series (LNCS, volume 1497)

Abstract

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.

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Copyright information

© Springer-Verlag Berlin Heidelberg 1998

Authors and Affiliations

  • Alessandro Bolloni
    • 1
  • Antonio Riganelli
    • 1
  • Stefano Crocchianti
    • 1
  • Antonio Laganà
    • 1
  1. 1.Dipartimento di ChimicaUniversità di PerugiaPerugiaItaly

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