Phase-Space Approach to Solving the Time-Independent Schrödinger Equation

Asaf Shimshovitz and David J. Tannor
Phys. Rev. Lett. 109, 070402 – Published 17 August 2012
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Abstract

We propose a method for solving the time-independent Schrödinger equation based on the von Neumann (vN) lattice of phase space Gaussians. By incorporating periodic boundary conditions into the vN lattice [F. Dimler et al., New J. Phys. 11, 105052 (2009)], we solve a longstanding problem of convergence of the vN method. This opens the door to tailoring quantum calculations to the underlying classical phase space structure while retaining the accuracy of the Fourier grid basis. The method has the potential to provide enormous numerical savings as the dimensionality increases. In the classical limit, the method reaches the remarkable efficiency of one basis function per one eigenstate. We illustrate the method for a challenging two-dimensional potential where the Fourier grid method breaks down.

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  • Received 20 June 2010

DOI:https://doi.org/10.1103/PhysRevLett.109.070402

© 2012 American Physical Society

Authors & Affiliations

Asaf Shimshovitz and David J. Tannor

  • Department of Chemical Physics, Weizmann Institute of Science, Rehovot 76100, Israel

Comments & Replies

Comment on “Phase-Space Approach to Solving the Time-Independent Schrödinger Equation”

James Brown and Tucker Carrington, Jr.
Phys. Rev. Lett. 114, 058901 (2015)

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Vol. 109, Iss. 7 — 17 August 2012

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