Use of Filter-Steinborn \(B\) and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals
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Publication:839359
DOI10.1007/s10910-008-9436-xzbMath1303.81077OpenAlexW2067488127MaRDI QIDQ839359
Publication date: 2 September 2009
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-008-9436-x
Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Molecular physics (81V55) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)
Cites Work
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- A matrix representation of the translation operator with respect to a basis set of exponentially declining functions
- An extremely efficient and rapid algorithm for numerical evaluation of three-centre nuclear attraction integrals over Slater-type functions
- A new algorithm for accurate and fast numerical evaluation of hybrid and three-centre two-electron Coulomb integrals over Slater-type functions
- Calculation of Interaction between Atoms with s-Electrons
- Addition theorem of Slater type orbitals: a numerical evaluation of Barnett–Coulson/Löwdin functions
- Electronic wave functions - I. A general method of calculation for the stationary states of any molecular system
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