Molecular integrals for Slater type orbitals using Coulomb Sturmians
DOI10.1007/s10910-013-0264-2zbMath1312.81060OpenAlexW1984271609MaRDI QIDQ2441091
James Emil Avery, John Scales Avery
Publication date: 21 March 2014
Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/s10910-013-0264-2
hyperspherical harmonicselectronic structure theorySlater type orbitalsSTO molecular integralsCoulomb Sturmiansmolecular Coulomb Sturmians
Sturm-Liouville theory (34B24) Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics (81Q05) Selfadjoint operator theory in quantum theory, including spectral analysis (81Q10) Atomic physics (81V45)
Related Items (3)
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- Two new classes of nonlinear transformations for accelerating the convergence of infinite integrals and series
- Application of Sturmian functions to the Schrödinger three-body problem: Elastic \(e^ +\)-H scattering
- The Generalized Sturmian Method
- Slater-Type Orbital Basis Sets: Reliable and Rapid Solution of the Schrödinger Equation for Accurate Molecular Properties
- Symmetry-Adapted Basis Sets
- Analytic Atomic Wave Functions
- The Numerical Evaluation of Very Oscillatory Infinite Integrals by Extrapolation
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