Numerical integration for polyatomic systems
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Publication:1184601
DOI10.1016/0021-9991(92)90277-6zbMath0755.65026OpenAlexW2020114693MaRDI QIDQ1184601
Publication date: 28 June 1992
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/0021-9991(92)90277-6
electronic structure calculationsspeed of convergencetest resultsGauss product integrationpolyatomic systemsthree-dimensional integrals
Electromagnetic interaction; quantum electrodynamics (81V10) Atomic physics (81V45) Multidimensional problems (41A63) Approximate quadratures (41A55) Numerical quadrature and cubature formulas (65D32)
Related Items (8)
A program to generate a basis set adaptive radial quadrature grid for density functional theory ⋮ A multi-center quadrature scheme for the molecular continuum ⋮ Exploring sparsity in three-dimensional integration for density-functional calculations ⋮ Radial numerical integrations based on the sinc function ⋮ Ab initio molecular simulations with numeric atom-centered orbitals ⋮ Efficient \(O(N)\) integration for all-electron electronic structure calculation using numeric basis functions ⋮ TIME-DEPENDENT CURRENT-DENSITY-FUNCTIONAL THEORY APPLIED TO ATOMS AND MOLECULES ⋮ Implementation of time-dependent density functional response equations
Cites Work
- Interpolatorische Kubaturformeln und reelle Ideale
- Kubaturformeln mit minimaler Knotenzahl
- Symmetric Numerical Integration Formulas for Regular Polygons
- High degree efficient symmetrical Gaussian quadrature rules for the triangle
- Economical symmetrical quadrature rules for complete polynomials over a square domain
- Moderate Degree Symmetric Quadrature Rules for the Triangle
- Quadrature Rules for Regions Having Regular Hexagonal Symmetry
- A Method for Numerical Integration
- Optimal Numerical Integration on a Sphere
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