An extremely efficient and rapid algorithm for numerical evaluation of three-centre nuclear attraction integrals over Slater-type functions
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Publication:4463639
DOI10.1088/0305-4470/36/47/007zbMath1047.81572OpenAlexW2002151306MaRDI QIDQ4463639
Publication date: 27 May 2004
Published in: Journal of Physics A: Mathematical and General (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1088/0305-4470/36/47/007
Nuclear physics (81V35) Computational methods for problems pertaining to quantum theory (81-08) Other functions defined by series and integrals (33E20) Numerical integration (65D30) Numerical approximation and evaluation of special functions (33F05)
Related Items (7)
Use of Filter-Steinborn \(B\) and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals ⋮ Integrals of the paramagnetic contribution in the relativistic calculation of the shielding tensor ⋮ A comparative study of numerical steepest descent, extrapolation, and sequence transformation methods in computing semi-infinite integrals ⋮ Numerical treatment of a twisted tail using extrapolation methods ⋮ Bessel, sine and cosine functions and extrapolation methods for computing molecular multi-center integrals ⋮ The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals ⋮ New formulae for higher order derivatives and applications
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