ISSN:
1432-2234
Keywords:
Parallel computing
;
Shared memory
;
Distributed memory
;
Cross sections
;
Reactive Infinite Order Sudden Approximation
;
Chemical reactions
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Reactive Infinite Order Sudden Approximation calculations have been performed using a computational procedure restructured to run on parallel computers. Computationally intensive sections of the code are analyzed and speedups obtained from a parallel restructuring discussed. The significant speedup obtained on a shared-memory parallel machine has allowed us to perform extensive calculations of the energy dependence of the integral and differential reactive cross sections of the Li+HCl system. A comparison with results of a quasiclassical and an experimental study is also performed.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113691
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