A program to generate a basis set adaptive radial quadrature grid for density functional theory
DOI10.1016/J.CPC.2008.10.004zbMATH Open1198.65047OpenAlexW2063833610MaRDI QIDQ603402FDOQ603402
Authors: Khatuna Kakhiani, Kakha Tsereteli, P. Tsereteli 
Publication date: 6 November 2010
Published in: Computer Physics Communications (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/j.cpc.2008.10.004
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Cites Work
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- A simple, efficient and more reliable scheme for automatic numerical integration
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- Quadratures on a sphere
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- When Not to Use an Automatic Quadrature Routine
- Numerical integration for polyatomic systems
- Numerical Integration Over the Spherical Shell
- On the integration accuracy in molecular density functional theory calculations using Gaussian basis sets
- Radial numerical integrations based on the sinc function
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- CHECKDEN: A computer program to generate 1D, 2D and 3D grids of functions dependent on the molecular ab initio electron density.
- The computation of radial integrals with nonclassical quadratures for quantum chemistry and other applications
Uses Software
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