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Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials

Publication ,  Journal Article
Delgadillo, R; Lu, J; Yang, X
Published in: SIAM Journal on Scientific Computing
January 1, 2016

We develop a gauge-invariant frozen Gaussian approximation (GIFGA) method for the Schrödinger equation (LSE) with periodic potentials in the semiclassical regime. The method generalizes the Herman-Kluk propagator for LSE to the case with periodic media. It provides an efficient computational tool based on asymptotic analysis on phase space and Bloch waves to capture the high-frequency oscillations of the solution. Compared to geometric optics and Gaussian beam methods, GIFGA works in both scenarios of caustics and beam spreading. Moreover, it is invariant with respect to the gauge choice of the Bloch eigenfunctions and thus avoids the numerical difficulty of computing gauge-dependent Berry phase. We numerically test the method by several one-dimensional examples; in particular, the first order convergence is validated, which agrees with our companion analysis paper [Frozen Gaussian Approximation for High Frequency Wave Propagation in Periodic Media, arXiv:1504.08051, 2015].

Duke Scholars

Published In

SIAM Journal on Scientific Computing

DOI

EISSN

1095-7197

ISSN

1064-8275

Publication Date

January 1, 2016

Volume

38

Issue

4

Start / End Page

A2440 / A2463

Related Subject Headings

  • Numerical & Computational Mathematics
  • 4903 Numerical and computational mathematics
  • 4901 Applied mathematics
  • 0802 Computation Theory and Mathematics
  • 0103 Numerical and Computational Mathematics
  • 0102 Applied Mathematics
 

Citation

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Delgadillo, R., Lu, J., & Yang, X. (2016). Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials. SIAM Journal on Scientific Computing, 38(4), A2440–A2463. https://doi.org/10.1137/15M1040384
Delgadillo, R., J. Lu, and X. Yang. “Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials.” SIAM Journal on Scientific Computing 38, no. 4 (January 1, 2016): A2440–63. https://doi.org/10.1137/15M1040384.
Delgadillo R, Lu J, Yang X. Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials. SIAM Journal on Scientific Computing. 2016 Jan 1;38(4):A2440–63.
Delgadillo, R., et al. “Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials.” SIAM Journal on Scientific Computing, vol. 38, no. 4, Jan. 2016, pp. A2440–63. Scopus, doi:10.1137/15M1040384.
Delgadillo R, Lu J, Yang X. Gauge-invariant frozen Gaussian approximation method for the schrödinger equation with periodic potentials. SIAM Journal on Scientific Computing. 2016 Jan 1;38(4):A2440–A2463.

Published In

SIAM Journal on Scientific Computing

DOI

EISSN

1095-7197

ISSN

1064-8275

Publication Date

January 1, 2016

Volume

38

Issue

4

Start / End Page

A2440 / A2463

Related Subject Headings

  • Numerical & Computational Mathematics
  • 4903 Numerical and computational mathematics
  • 4901 Applied mathematics
  • 0802 Computation Theory and Mathematics
  • 0103 Numerical and Computational Mathematics
  • 0102 Applied Mathematics