Investigation of high-performance algorithms for numerical calculations of evolution of quantum systems based on their intrinsic properties View Full Text


Ontology type: schema:Chapter     


Chapter Info

DATE

1999

AUTHORS

A. V. Bogdanov , A. S. Gevorkyan , A. G. Grigoryan , S. A. Matseev

ABSTRACT

A new method, based on the functional formulation of the theory of quantum mechanism multichannel scattering for three-body collinear systems is proposed. Based on intrinsic properties of scattering system the numerical task was divided into independent subtasks and the parallel algorithm for numerical computations was developed and tested on massive-parallel systems Parsystec CC/16 and SPP-1600. It was shown that efficiency of such algorithm scales linearly. This algorithm makes it possible to carry out converging computations for three-body problem for any energy. It is shown, that even in this simple case the principle of quantum determinism in the general case breaks down and we have a micro-irreversible quantum mechanics. The ab initio calculations of the quantum chaos (wave chaos) for the first time were carried out on the example of an elementary chemical reaction Li+(FH)→(LiFH) * →(LiF)+H. More... »

PAGES

1286-1291

Book

TITLE

High-Performance Computing and Networking

ISBN

978-3-540-65821-4
978-3-540-48933-7

Identifiers

URI

http://scigraph.springernature.com/pub.10.1007/bfb0100710

DOI

http://dx.doi.org/10.1007/bfb0100710

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1022181129


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