Slater-type orbital basis sets: reliable and rapid solution of the Schrödinger equation for accurate molecular properties
From MaRDI portal
Publication:2848237
Recommendations
- Molecular integrals for Slater type orbitals using Coulomb Sturmians
- Multicentre two-electron Coulomb and exchange integrals over Slater functions evaluated using a generalized algorithm based on nonlinear transformations
- Convergence of Slater-type orbitals in calculations of basic molecular integrals
- Calculation of two-center nuclear attraction integrals of Slater type orbitals with noninteger principal quantum numbers using Guseinov's one-center expansion formulas and Löwdin-\(\alpha \) radial function
- Calculation of multicenter nuclear attraction and electron repulsion integrals over Slater orbitals by Fourier transform method using Gegenbauer polynomials
Cited in
(9)- Smeared Coulomb potential orbitals. I: Asymptotic expansion
- GTOBAS: Fitting continuum functions with Gaussian-type orbitals
- On the evaluation of integrals with Coulomb Sturmian radial functions
- Low-rank tensor representation of Slater-type and hydrogen-like orbitals.
- Exponential type orbitals with generalized hyperbolic cosine functions for atomic systems
- Convergence of Slater-type orbitals in calculations of basic molecular integrals
- Molecular integrals for Slater type orbitals using Coulomb Sturmians
- Distorted \(s\)-type orbitals: the \(\mathrm {H}^{+}_{2}\) problem revisited
- Quantum mechanical calculations to chemical accuracy
This page was built for publication: Slater-type orbital basis sets: reliable and rapid solution of the Schrödinger equation for accurate molecular properties
Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q2848237)
