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

zbMATH Keywords

hyperspherical harmonicselectronic structure theorySlater type orbitalsSTO molecular integralsCoulomb Sturmiansmolecular Coulomb Sturmians

Mathematics Subject Classification ID

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)

On the evaluation of integrals with Coulomb Sturmian radial functions ⋮ Exponential type orbitals with generalized hyperbolic cosine functions for atomic systems ⋮ A chainlike relative coordinate system for few-particle problems

Uses Software

• Mathematica
• Sturmian
• STOP
• ADF

Cites Work

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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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