Use of Filter-Steinborn \(B\) and Guseinov \({Q_{ns}^q}\) auxiliary functions in evaluation of two-center overlap integrals over Slater type orbitals
From MaRDI portal
Publication:839359
DOI10.1007/s10910-008-9436-xzbMath1303.81077MaRDI 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
81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
81V55: Molecular physics
92E10: Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
Cites Work
- Unnamed Item
- Unnamed Item
- Fast evaluation of molecular auxiliary functions \(A_{\alpha }\) and \(B_{n}\) by analytical relations
- A simple derivation of the addition theorems of the irregular solid harmonics, the Helmholtz harmonics, and the modified Helmholtz harmonics
- 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