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Communication: Phase space wavelets for solving Coulomb problems.

Authors
  • Shimshovitz, Asaf1
  • Tannor, David J
  • 1 Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100, Israel. , (Israel)
Type
Published Article
Journal
The Journal of Chemical Physics
Publisher
American Institute of Physics
Publication Date
Sep 14, 2012
Volume
137
Issue
10
Pages
101103–101103
Identifiers
DOI: 10.1063/1.4751484
PMID: 22979843
Source
Medline
License
Unknown

Abstract

Recently we introduced a phase space approach for solving the time-independent Schrödinger equation using a periodic von Neumann basis with bi-orthogonal exchange (pvb) [A. Shimshovitz and D. J. Tannor, Phys. Rev. Lett. 109, 070402 (2012)]. Here we extend the approach to allow a wavelet scaling of the phase space Gaussians. The new basis set, which we call the wavelet pvb basis, is simple to implement and provides an appealing alternative to other wavelet approaches. For the 1D Coulomb problems tested in this paper, the method reduces the size of the basis relative to the Fourier grid method by a factor of 13-60. The savings in basis set size is predicted to grow steeply as the dimensionality increases.

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