Efficient and rapid numerical evaluation of the two-electron, four-center Coulomb integrals using nonlinear transformations and useful properties of sine and Bessel functions
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Publication:1604433
DOI10.1006/jcph.2001.6925zbMath1007.65013OpenAlexW1980365938MaRDI QIDQ1604433
Publication date: 4 July 2002
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1006/jcph.2001.6925
convergencenumerical examplesBessel functionsnonlinear transformationmolecular structuresine functionsoscillating integralstwo-electron, four-center Coulomb integrals
Computation of special functions and constants, construction of tables (65D20) Other functions defined by series and integrals (33E20) Numerical quadrature and cubature formulas (65D32) Molecular physics (81V55) Numerical approximation and evaluation of special functions (33F05)
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