Nonreflecting Boundary Condition for the free Schrödinger equation for hyperrectangular computational domains

Abstract

In this article, we discuss the efficient ways of implementing the transparent boundary condition (TBC) and its various approximations for the free Schrödinger equation on a hyperrectangular computational domain in $\field{R}^d$ with periodic boundary conditions along the $(d-1)$ unbounded directions. In particular, we consider Padé approximant based rational approximation of the exact TBC and a spatially local form of the exact TBC obtained under its high-frequency approximation. For the spatial discretization, we use a Legendre-Galerkin spectral method with a boundary-adapted basis to ensure the bandedness of the resulting linear system. Temporal discretization is then addressed with two one-step methods, namely, the backward-differentiation formula of order 1 (BDF1) and the trapezoidal rule (TR). Finally, several numerical tests are presented to demonstrate the effectiveness of the methods where we study the stability and convergence behaviour empirically.

27 pages, 9 figures, 5 tables. arXiv admin note: substantial text overlap with arXiv:2403.07787