FDEXTR 2.1: A new version of a program for the finite-difference solution of the coupled-channel Schrodinger equation using the Richardson extrapolation

被引：4

作者：

Abrashkevich, AG ^{[1
]}

Abrashkevich, DG ^{[1
]}

机构：

[1] Univ Toronto, Dept Chem, Chem Phys Theory Grp, Toronto, ON M5S 3H6, Canada

来源：

COMPUTER PHYSICS COMMUNICATIONS | 1998年 / 113卷 / 01期

关键词：

Richardson extrapolation; finite difference method; Schrodinger equation; eigensolutions; ordinary differential equations; atomic; molecular; chemical physics;

D O I：

10.1016/S0010-4655(98)00033-2

中图分类号：

TP39 [计算机的应用];

学科分类号：

081203 ; 0835 ;

摘要：

A FORTRAN program is presented which solves the Sturm-Liouville problem for a system of coupled second-order differential equations by the finite difference method of the second order using the iterative Richardson extrapolation of the difference eigensolutions on a sequence of doubly condensed meshes. The same extrapolational procedure and error estimations are applied to the eigenvalues and eigenfunctions. Zero-value (Dirichlet) or zero-gradient (Neumann) boundary conditions are considered. (C) 1998 Elsevier Science B.V.

引用

页码：105 / 107

页数：3

共 4 条

[1] FINITE-DIFFERENCE SOLUTION OF THE COUPLED-CHANNEL SCHRODINGER-EQUATION USING RICHARDSON EXTRAPOLATION [J].

ABRASHKEVICH, AG ;

ABRASHKEVICH, DG .

COMPUTER PHYSICS COMMUNICATIONS, 1994, 82 (2-3) :193-208

[2] FDEXTR, a program for the finite-difference solution of the coupled-channel Schroedinger equation using Richardson extrapolation [J].

Abrashkevich, A.G. ;

Abrashkevich, D.G. .

Computer Physics Communications, 1994, 82 (2-3) :209-220

[3]

Bathe K, 2000, FINITE ELEMENT METHO

[4]

*NUM ALG GOUP LIM, 1991, NAG FORT LIBR MAN MA

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