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Parallel algorithm for calculating ro‐vibrational states of diatomic molecules
Author(s) -
Neto J. J. Soares
Publication year - 1994
Publication title -
journal of computational chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.907
H-Index - 188
eISSN - 1096-987X
pISSN - 0192-8651
DOI - 10.1002/jcc.540150204
Subject(s) - diatomic molecule , computer science , algorithm , finite element method , computational science , molecule , physics , quantum mechanics , thermodynamics
In this article, we develop and implement an algorithm for calculating the rovbrational states of diatomic molecules optimized for multiple instructions multiple data computers of distributed memory. The method is based upon the p ‐version of the finite element method and has been implemented on an INTEL iPSC/2 machine with 16 processors. © 1994 by John Wiley & Sons, Inc.