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Phys. Rev. E 63, 056706 (2001) [14 pages]

Fast Chebyshev-polynomial method for simulating the time evolution of linear dynamical systems

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Y. L. Loh1, S. N. Taraskin2, and S. R. Elliott2
1Trinity College, University of Cambridge, Cambridge CB2 1TQ, United Kingdom
2Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge CB2 1EW, United Kingdom

Received 27 January 2000; revised 5 December 2000; published 26 April 2001

We present a fast method for simulating the time evolution of any linear dynamical system possessing eigenmodes. This method does not require an explicit calculation of the eigenvectors and eigenfrequencies, and is based on a Chebyshev polynomial expansion of the formal operator matrix solution in the eigenfrequency domain. It does not suffer from the limitations of ordinary time-integration methods, and can be made accurate to almost machine precision. Among its possible applications are harmonic classical mechanical systems, quantum diffusion, and stochastic transport theory. An example of its use is given for the problem of vibrational wave-packet propagation in a disordered lattice.

© 2001 The American Physical Society

URL:
http://link.aps.org/doi/10.1103/PhysRevE.63.056706
DOI:
10.1103/PhysRevE.63.056706
PACS:
02.60.Cb, 02.70.Ns, 02.70.-c