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Reducing anomalous reflection from complex absorbing potentials: A semiclassical approach

Micheline B. Soley1,2,3, Kobra N. Avanaki4, and Eric J. Heller4

  • 1Department of Chemistry and Chemical Biology, Harvard University, 12 Oxford Street, Cambridge, Massachusetts 02138, USA
  • 2Yale Quantum Institute, Yale University, P.O. Box 208334, New Haven, Connecticut 06520, USA
  • 3Department of Chemistry, Yale University, 225 Prospect Street, New Haven, Connecticut 06520, USA
  • 4Department of Physics and Department of Chemistry and Chemical Biology, Harvard University, Cambridge, Massachusetts 02138, USA

Phys. Rev. A 103, L041301 – Published 6 April, 2021

DOI: https://doi.org/10.1103/PhysRevA.103.L041301

Abstract

Numerical simulations are frequently required for quantum scattering problems and often face difficulties with finite grids and unwanted, unphysical reflections. For decades, improved complex absorbing potentials (CAPs) have been sought. Today, the rise of ultracold physics makes a solution essential as CAP errors increase at lower energies. We present a method that provides a physical, semiclassical picture of how to improve CAPs based on the behavior of classical trajectories. The method does not rely on the mathematical formalism often required by existing methods and reduces the error associated with CAP-based calculation of the low-energy scattering wavefunctions by up to several orders of magnitude relative to the standard Woods-Saxon approach, as demonstrated via the distorted-wave Born approximation. This indicates the method may be applied to the numerical simulation of collisions in the ultracold regime.

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Corrections

21 April, 2021

Correction: The article title appearing in Ref. [34] was incorrect and has been fixed.

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