The wave packet propagation using wavelets

We compare Fourier grid and wavelet transform based methods for numerical propagation of a 1D electronic wave packet using the split-operator technique. It is demonstrated that the wavelets can be used to considerably speed up simulations of wave packet propagation in multiscale systems. Extremely h...

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Bibliographic Details
Published in:Chemical physics letters 2002-07, Vol.361 (1), p.15-20
Main Authors: Borisov, A.G., Shabanov, S.V.
Format: Article
Language:English
Subjects:
Classical and quantum physics: mechanics and fields
Exact sciences and technology
Physics
Quantum mechanics
Solutions of wave equations: bound states
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Summary:We compare Fourier grid and wavelet transform based methods for numerical propagation of a 1D electronic wave packet using the split-operator technique. It is demonstrated that the wavelets can be used to considerably speed up simulations of wave packet propagation in multiscale systems. Extremely high efficiency can be obtained in the representation of both bound and continuum states.
ISSN:0009-2614
1873-4448
DOI:10.1016/S0009-2614(02)00846-1