AccurateLCAO ground state calculations of HeH2+ using slater-type orbitals
Author:
Publisher
Wiley
Subject
Physical and Theoretical Chemistry,Condensed Matter Physics,Atomic and Molecular Physics, and Optics
Reference8 articles.
1. On the accuracy of the algebraic approximation in molecular electronic structure calculations. I. Calculations for H2+, HeH2+, H2and HeH+using basis sets of atom-centred Gaussian-type functions
2. Accurate ground-state calculations ofH2+using basis sets of atom-centered Slater-type orbitals
3. International Mathematical and Statistical Library, Houston, TX.
4. Two-dimensional fully numerical solutions of molecular Schrödinger equations. I. One-electron molecules
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1. Calculation of two-center nuclear attraction integrals over slater type orbitals in molecular coordinate system;Chinese Journal of Chemistry;2010-08-26
2. Application of Complete Orthonormal Sets of Ψ α -Exponential-Type Orbitals to Accurate Ground and Excited States Calculations of One-Electron Diatomic Molecules Using Single-Zeta Approximation;Chinese Physics Letters;2008-07-29
3. Use of basis sets of Ψα-exponential type orbitals in calculation of electronic energies for one-electron diatomic molecules by single-zeta approximation;Physica Scripta;2008-03-20
4. Use of Cartesian coordinates in evaluation of multicenter multielectron integrals over Slater type orbitals and their derivatives;Journal of Mathematical Chemistry;2006-11-02
5. Determination of electronic energy levels for the heteromolecular ions HeH2+, LiH3+, and BeH4+ from the Hamilton–Jacobi equation;International Journal of Quantum Chemistry;2006
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