The computation of radial integrals with nonclassical quadratures for quantum chemistry and other applications

DOI10.1007/s10910-016-0689-5zbMath1381.92116OpenAlexW2525726840MaRDI QIDQ1704717

Xingwei Yang, Nicholas Ho, Bernie D. Shizgal

Publication date: 13 March 2018

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-016-0689-5

zbMATH Keywords

mappingsquadraturesradial integralsGauss-Maxwell quadrature

Mathematics Subject Classification ID

Chemistry (92E99) Numerical quadrature and cubature formulas (65D32)

Related Items (1)

Pseudospectral solution of the Schrödinger equation for the Rosen-Morse and Eckart potentials

Cites Work

• Unnamed Item
• Unnamed Item
• Unnamed Item
• On the evaluation of integrals with Coulomb Sturmian radial functions
• A program to generate a basis set adaptive radial quadrature grid for density functional theory
• Exponentially convergent Fourier-Chebyshev quadrature schemes on bounded and infinite intervals
• A Gaussian quadrature procedure for use in the solution of the Boltzmann equation and related problems
• The optimization of convergence for Chebyshev polynomial methods in an unbounded domain
• Numerical integration using Rys polynomials
• Numerical solution of problems in unbounded regions: coordinate transforms
• Distributed Gaussian polynomials and associated Gaussian quadratures
• Density Functional Theory in Quantum Chemistry
• Spectral Methods in Chemistry and Physics
• On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets

This page was built for publication: The computation of radial integrals with nonclassical quadratures for quantum chemistry and other applications