Evaluation of molecular integrals in a mixed Gaussian and plane-wave basis by Rys quadrature

DOI10.1006/JCPH.1998.5976zbMath0921.65017OpenAlexW2126563043MaRDI QIDQ1286972

Martin Polášek, Petr Čársky

Publication date: 29 April 1999

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.1998.5976

zbMATH Keywords

two-electron integralsmolecular integralsGaussian basisplane-wave basisRys polynomialsRys quadrature

Mathematics Subject Classification ID

Computation of special functions and constants, construction of tables (65D20) Numerical quadrature and cubature formulas (65D32) Molecular physics (81V55)

Related Items (3)

Truncated Hermite polynomials ⋮ Incomplete gamma \(F_m(x)\) functions for real negative and complex arguments ⋮ Efficient evaluation of the matrix elements of the Coulomb potential between plane waves and Gaussians

Cites Work

• Numerical integration using Rys polynomials
• Incomplete gamma \(F_m(x)\) functions for real negative and complex arguments

This page was built for publication: Evaluation of molecular integrals in a mixed Gaussian and plane-wave basis by Rys quadrature