Inverse Multiquadratic Functions as the Basis for the Rectangular Collocation Method to Solve the Vibrational Schrodinger Equation

被引:11
|
作者
Kamath, Aditya [1 ]
Manzhos, Sergei [1 ]
机构
[1] Natl Univ Singapore, Dept Mech Engn, Block EA 07-08,9 Engn Dr 1, Singapore 117576, Singapore
来源
MATHEMATICS | 2018年 / 6卷 / 11期
关键词
Schrodinger equation; vibrational spectrum; collocation; inverse multiquadratic function; rectangular matrix; POTENTIAL-ENERGY SURFACES; BOUND-STATES;
D O I
10.3390/math6110253
中图分类号
O1 [数学];
学科分类号
0701 ; 070101 ;
摘要
We explore the use of inverse multiquadratic (IMQ) functions as basis functions when solving the vibrational Schrodinger equation with the rectangular collocation method. The quality of the vibrational spectrum of formaldehyde (in six dimensions) is compared to that obtained using Gaussian basis functions when using different numbers of width-optimized IMQ functions. The effects of the ratio of the number of collocation points to the number of basis functions and of the choice of the IMQ exponent are studied. We show that the IMQ basis can be used with parameters where the IMQ function is not integrable. We find that the quality of the spectrum with IMQ basis functions is somewhat lower that that with a Gaussian basis when the basis size is large, and for a range of IMQ exponents. The IMQ functions are; however, advantageous when a small number of functions is used or with a small number of collocation points (e.g., when using square collocation).
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页数:9
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