A fast and simple program for solving local Schrödinger equations in two and three dimensions

Abstract
We describe a simple and rapidly converging code for solving local Schrödinger equations in two and three dimensions. Our method utilizes a fourth-order factorization of the imaginary time evolution operator which improves the convergence rate by one to two orders of magnitude compared with a second-order Trotter factorization. We present the theory behind the method and strategies for assessing convergence and accuracy. Our code requires one user defined function which specifies the local e...

Title of program: 3dsch/2dsch
Catalogue Id: AEAQ_v1_0

Nature of problem
Numerical calculation of low-lying states of 2D and 3D local Schrödinger equations in configuration space.

Versions of this program held in the CPC repository in Mendeley Data
AEAQ_v1_0; 3dsch/2dsch; 10.1016/j.cpc.2008.01.035

This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)

【摘要】本文介绍一款简洁且收敛快速的程序，用于求解二维与三维局域薛定谔方程（Schrödinger equation）。我们的方法采用虚时间演化算符（imaginary time evolution operator）的四阶分解方案，相较于二阶特罗特分解（Trotter factorization），可将收敛速率提升1至2个数量级。本文阐述了该方法的理论基础，以及评估收敛性与计算精度的策略。本程序仅需用户定义一个用于描述局域[原文此处截断]的函数。
程序名称：3dsch/2dsch
馆藏编号：AEAQ_v1_0
待求解问题：对位形空间内二维与三维局域薛定谔方程的低激发态进行数值计算。
Mendeley数据集中CPC程序库内的该程序版本：AEAQ_v1_0; 3dsch/2dsch; 10.1016/j.cpc.2008.01.035
本程序源自贝尔法斯特女王大学维护的CPC程序库（1969-2019年）