COMPUTATIONAL METHODS IN SCIENCE AND ENGINEERING, VOL 2: ADVANCES IN COMPUTATIONAL SCIENCE
|
2009年
/
1148卷
关键词:
Advanced Numerical Algorithms;
Problem Solving Environments;
Scientific Computation;
Theoretical Physics;
D O I:
暂无
中图分类号:
TP39 [计算机的应用];
学科分类号:
081203 ;
0835 ;
摘要:
This paper presents a description of the abstractions required for the expression and solution of the linear single-particle Schrodinger equation in a finite element basis. This paper consists of two disparate themes: First, to layout and establish the foundations of finite element analysis as an approximate numerical solution to extendable quantum mechanical systems; and second, to promote a high-performance open-source computational model for the approximate numerical solution to quantum mechanical systems. The structural foundation of the one- and two-dimensional time-independent Schrodinger equation describing an infinite potential well is explored and a brief overview of the hierarchal design of the computational library written in C++ is given.