Optimally truncated WKB approximation for the 1D stationary Schrödinger equation in the highly oscillatory regime

IF 4.6 Q2 MATERIALS SCIENCE, BIOMATERIALS ACS Applied Bio Materials Pub Date : 2024-08-29 DOI:10.1016/j.cam.2024.116240
Anton Arnold , Christian Klein , Jannis Körner , Jens Markus Melenk
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Abstract

This paper is dedicated to the efficient numerical computation of solutions to the 1D stationary Schrödinger equation in the highly oscillatory regime. We compute an approximate solution based on the well-known WKB-ansatz, which relies on an asymptotic expansion w.r.t. the small parameter ɛ. Assuming that the coefficient in the equation is analytic, we derive an explicit error estimate for the truncated WKB series, in terms of ɛ and the truncation order N. For any fixed ɛ, this allows to determine the optimal truncation order Nopt which turns out to be proportional to ɛ1. When chosen this way, the resulting error of the optimally truncated WKB series behaves like O(exp(r/ɛ)), with some parameter r>0. The theoretical results established in this paper are confirmed by several numerical examples.

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高度振荡状态下一维静态薛定谔方程的最佳截断 WKB 近似值
本文致力于高效数值计算一维静态薛定谔方程在高度振荡机制下的解。我们基于著名的 WKB-ansatz 计算近似解,它依赖于小参数 ɛ 的渐近展开。假定方程中的系数是解析的,我们可以根据ɛ 和截断阶数 N 求出截断 WKB 序列的显式误差估计值。这样选择时,最优截断 WKB 序列的误差表现为 O(exp(-r/ɛ)),某个参数 r>0。本文建立的理论结果得到了几个数值实例的证实。
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来源期刊
ACS Applied Bio Materials
ACS Applied Bio Materials Chemistry-Chemistry (all)
CiteScore
9.40
自引率
2.10%
发文量
464
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