A new algorithm for accurate and fast numerical evaluation of hybrid and three-centre two-electron Coulomb integrals over Slater-type functions
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Publication:4468617
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Cited in
(18)- New formulae for higher order derivatives and applications
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- Fast Computation of the Slater Integrals
- Use of Filter-Steinborn \(B\) and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals
- A comparative study of numerical steepest descent, extrapolation, and sequence transformation methods in computing semi-infinite integrals
- Evaluation of Hylleraas-CI atomic integrals by integration over the coordinates of one electron. IV: An improved algorithm for three-electron kinetic energy integrals
- Bessel, sine and cosine functions and extrapolation methods for computing molecular multi-center integrals
- Efficient algorithm for two-center Coulomb and exchange integrals of electronic prolate spheroidal orbitals
- Numerical treatment of a twisted tail using extrapolation methods
- Two-center overlap integrals, three dimensional adaptive integration, and prolate ellipsoidal coordinates
- Multicentre two-electron Coulomb and exchange integrals over Slater functions evaluated using a generalized algorithm based on nonlinear transformations
- `tripleint.cc': A program for 2-centre variational leptonic Coulomb potential matrix elements using Hylleraas-type trial functions, with a performance optimization study
- Numerical evaluation of three-center two-electron Coulomb and hybrid integrals over \(B\) functions using the \(HD\) and \(H\overline{D}\) methods and convergence properties
- The Fourier transform method and the \(S\overline D\) approach for the analytical and numerical treatment of multicenter overlap-like quantum similarity integrals
- Rational approximants to evaluate four-center electron repulsion integrals for \(1s\) hydrogen Slater type functions
- Calculation of three-center nuclear attraction integral over Slater type orbitals in molecular coordinate system using Löwdin \(\alpha \)-radial function and Guseinov's two-center charge density expansion formulae
- Integration by cell algorithm for Slater integrals in a spline basis
- The \(HD\) and \(H\bar D\) methods for accelerating the convergence of three-center nuclear attraction and four-center two-electron Coulomb integrals over \(B\) functions and their convergence properties
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