Automatic computation of quantum-mechanical bound states and wavefunctions

Abstract We discuss the automatic solution of the multichannel Schrödinger equation. The proposed approach is based on the use of a CP method for which the step size is not restricted by the oscillations in the solution. Moreover, this CP method turns out to form a natural scheme for the integration of the Riccati differential equation which arises when introducing the (inverse) logarithmic derivative. A new Prüfer type mechanism which derives all the required information from the propagation of the i... Title of program: MATCAS Catalogue Id: AEON_v1_0 Nature of problem Computation of eigenvalues and eigenfunctions of multichannel Schrödinger equations appearing in quantum mechanics. Versions of this program held in the CPC repository in Mendeley Data AEON_v1_0; MATCAS; 10.1016/j.cpc.2012.12.016 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)## 摘要 我们探讨多通道薛定谔方程（multichannel Schrödinger equation）的自动求解方案。所提方法基于一种CP方法（CP method），其步长不受解的振荡特性限制。此外，该CP方法可自然适配黎卡提微分方程（Riccati differential equation）的积分求解——该方程在引入（逆）对数导数时会自然产生。本文提出一种新型普吕弗（Prüfer）型机制，可从i...的传播过程中提取全部所需信息。 ## 程序名称：MATCAS ## 目录编号：AEON_v1_0 ## 问题性质 求解量子力学领域中出现的多通道薛定谔方程的本征值与本征函数。 ## Mendeley数据中CPC库收录的本程序版本 AEON_v1_0；MATCAS；10.1016/j.cpc.2012.12.016 本程序源自贝尔法斯特女王大学维护的CPC程序库（1969-2018年）。