ISSN:
1432-2234
Keywords:
Wave packets
;
Integral equations
;
Parallel computing
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
Summary Results of our initial study of the use of parallel architecture super-computers in solving time-dependent quantum scattering equations are reported. The specific equations solved are obtained from the time-dependent Lippmann-Schwinger integral equation by means of a quadrature approximation to the time integral. This leads to a modified Cayley transform algorithm in which the primary computational step is a matrix-vector multiplication. Implementation has been carried out both for the MasPar MP-1 and the NCUBE 6400 parallel machines. The codes are written in a modular form that greatly facilitates porting from one machine architecture to another. Both parallel machines prove to be more powerful for this application than the serial architecture VAX 8650. Specific analysis of machine performance is given.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1007/BF01113698
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