The collocation method based on a generalized inverse multiquadric basis for bound-state problems

被引:31
|
作者
Hu, XG [1 ]
Ho, TS [1 ]
Rabitz, H [1 ]
机构
[1] Princeton Univ, Dept Chem, Princeton, NJ 08544 USA
关键词
schrodinger equation; collocation method; radial basis; interpolation theory; bound-state; wavefunction; vibration energy level;
D O I
10.1016/S0010-4655(98)00096-4
中图分类号
TP39 [计算机的应用];
学科分类号
081203 ; 0835 ;
摘要
The generalized inverse multiquadric basis function (1+c(2)\\x\\(2))(-beta/2), where c > 0, beta > d, and x is an element of R-d, is introduced for numerically solving the bound-state Schrodinger equation. Combined with the collocation method, this basis function can yield accurate eigenvalues of highly excited vibrations, as demonstrated by using one- and two-dimensional potentials. In addition, the generalized inverse multiquadric basis function is as flexible and simple as the Gaussian basis. The multiquadric form does not call for semiclassically distributed grid points and specially scaled exponential parameters as required in the latter case to achieve high accuracy. (C) 1998 Published by Elsevier Science B.V.
引用
收藏
页码:168 / 179
页数:12
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