Numerical methods for multicenter integrals for numerically defined basis functions applied in molecular calculations

2003 ◽  
Vol 93 (2) ◽  
pp. 72-90 ◽  
Author(s):  
James D. Talman
Keyword(s):  
Numerical Methods ◽  
Basis Functions ◽  
Multicenter Integrals ◽  
Molecular Calculations

Molecular calculations using space-restricted basis functions

1993 ◽  
Vol 48 (6) ◽  
pp. 367-373 ◽  
Author(s):  
P. L. Goodfriend ◽  
S. I. Tsonchev
Keyword(s):  
Basis Functions ◽  
Molecular Calculations

Meshless and Multi-Resolution Collocation Techniques for Steady State Interface Models

2017 ◽  
Vol 15 (01) ◽  
pp. 1750073 ◽  
Author(s):  
Imran Aziz ◽  
Siraj-ul-Islam ◽  
Nadeem Haider
Keyword(s):  
Steady State ◽  
Numerical Methods ◽  
Numerical Experiments ◽  
Haar Wavelet ◽  
Basis Functions ◽  
Elliptic Type ◽  
Error Norm ◽  
Interface Models ◽  
Meshless Collocation ◽  
Norm Comparison

In this paper, two numerical methods are being considered for simulations of 1D elliptic type single and double interface models. The first proposed method is based on Haar wavelet collocation while the second method is based on meshless collocation which is realized on radial basis functions. Numerical experiments are carried out to check performance of both the methods. The accuracy of the methods is assessed in terms of [Formula: see text] error norm. Comparison of numerical results is shown to establish validity and superiority of the methods.

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