Evaluation of multicenter integrals over Slater-type atomic orbitals by expansion in terms of complete sets
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference15 articles.
1. On the evaluation of molecular integrals by three dimensional numerical integration in spherical polar coordinates
2. Numerical evaluation of many-dimensional integrals in solutions of the molecular Schrödinger equation
3. Analytical Evaluation of Multicenter Integrals of r12−1 with Slater‐Type Atomic Orbitals VI. Asymptotic Expansions for Large Internuclear Distances
4. The three‐dimensional convolution of reduced Bessel functions and other functions of physical interest
5. Extremely compact formulas for molecular two-center one-electron integrals and Coulomb integrals over Slater-type atomic orbitals
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1. Combining Slater-type orbitals and effective core potentials;Physical Review A;2017-05-11
2. Tailored Gauss quadratures, a promising route for an efficient evaluation of multicenter integrals over B functions;The Journal of Chemical Physics;2009-05-28
3. Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over Slater type orbitals and their derivatives;Journal of Mathematical Chemistry;2006-11-02
4. Addition theorem of Slater type orbitals: a numerical evaluation of Barnett–Coulson/Löwdin functions;Journal of Physics A: Mathematical and General;2005-03-15
5. Molecular overlap integrals with exponential‐type orbitals;The Journal of Chemical Physics;1986-02
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