Radial numerical integrations based on the sinc function

DOI10.1016/J.CPC.2004.08.008MaRDI QIDQ709581zbMATH OpenOpenAlexFDO

Authors Valéry Weber, Claude Daul, Richard Baltensperger

Publication date 18 October 2010

Published in Computer Physics Communications (Search for Journal in Brave)

Full work available at URL http://doc.rero.ch/record/4787/files/1_daul_rni.pdf

zbMATH Keywords

numerical quadraturemolecular integral

Mathematics Subject Classification ID

Numerical integration (65D30) Approximate quadratures (41A55)

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Cites work

• scientific article; zbMATH DE number 435359 (Why is no real title available?)
• scientific article; zbMATH DE number 53677 (Why is no real title available?)
• scientific article; zbMATH DE number 3511501 (Why is no real title available?)
• scientific article; zbMATH DE number 3529328 (Why is no real title available?)
• scientific article; zbMATH DE number 274399 (Why is no real title available?)
• A Method for Numerical Integration
• Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
• Numerical integration for polyatomic systems
• Optimal quadratures in H(sub)p spaces

Cited in

(8)

• Numerical solution of system of nonlinear second-order integro-differential equations
• On the construction of Dirichlet series approximations for completely monotone functions
• Use of binomial coefficients in fast and accurate calculation of Löwdin- radial functions
• A program to generate a basis set adaptive radial quadrature grid for density functional theory
• On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets
• First applications of a formula for the error of finite sinc interpolation
• An efficient nonclassical quadrature for the calculation of nonresonant nuclear fusion reaction rate coefficients from cross section data
• The computation of radial integrals with nonclassical quadratures for quantum chemistry and other applications

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