Literature DB >> 12666165

Radial quadrature for multiexponential integrands.

Peter M W Gill1, Siu-Hung Chien.   

Abstract

We introduce a Gaussian quadrature, based on the polynomials that are orthogonal with respect to the weight function ln(2)x on the interval [0, 1], which is suitable for the evaluation of radial integrals. The quadrature is exact if the non-Jacobian part of the integrand is a linear combination of a geometric sequence of exponential functions. We find that the new scheme is a useful alternative to existing approaches, particularly for integrands that exhibit multiexponential behavior. Copyright 2003 Wiley Periodicals, Inc. J Comput Chem 24: 732-740, 2003

Year:  2003        PMID: 12666165     DOI: 10.1002/jcc.10211

Source DB:  PubMed          Journal:  J Comput Chem        ISSN: 0192-8651            Impact factor:   3.376


  1 in total

1.  On the Efficient Evaluation of the Exchange Correlation Potential on Graphics Processing Unit Clusters.

Authors:  David B Williams-Young; Wibe A de Jong; Hubertus J J van Dam; Chao Yang
Journal:  Front Chem       Date:  2020-12-10       Impact factor: 5.221

  1 in total

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