EFFICIENT COMPUTATION OF THE MATRIX EXPONENTIAL USING PADE-APPROXIMATION

被引:3
作者
LIN, YY
HWANG, LP
机构
[1] NATL TAIWAN UNIV,DEPT CHEM,TAIPEI,TAIWAN
[2] ACAD SINICA,INST ATOM & MOLEC SCI,TAIPEI 115,TAIWAN
来源
COMPUTERS & CHEMISTRY | 1992年 / 16卷 / 04期
关键词
D O I
10.1016/0097-8485(92)80048-5
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A modified Pade approximation has been proposed to calculate the matrix exponential involved in the numerical solution of linear evolution equations. If the exponential matrix has a band structure, a factorization method may then be conveniently used to reduce computation flops. Numerical solutions of the heat-conduction equation and time-dependent Schrodinger equation are given as numerical examples to illustrate the feasibility. An increase in efficiency and accuracy over conventional methods is obtained.
引用
收藏
页码:285 / 293
页数:9
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