Recent progress on representations for Coulomb integrals of exponential-type orbitals
- 1 July 1992
- journal article
- Published by Elsevier in Journal of Molecular Structure: THEOCHEM
- Vol. 260, 207-221
- https://doi.org/10.1016/0166-1280(92)87044-z
Abstract
No abstract availableThis publication has 37 references indexed in Scilit:
- Improved quadrature methods for three-center nuclear attraction integrals with exponential-type basis functionsInternational Journal of Quantum Chemistry, 1991
- Numerical evaluation of molecular one- and two-electron multicenter integrals with exponential-type orbitals via the Fourier-transform methodPhysical Review A, 1988
- Analytical evaluation of multicenter molecular integrals over Slater-type orbitals using expanded Löwdin alpha functionsPhysical Review A, 1988
- Overlap integrals of B functionsTheoretical Chemistry Accounts, 1988
- Exact formulas and their evaluation for Slater-type-orbital overlap integrals with large quantum numbersPhysical Review A, 1987
- Rates of convergence and error estimation formulas for the Rayleigh–Ritz variational methodThe Journal of Chemical Physics, 1985
- Rates of convergence of variational calculations and of expectation valuesThe Journal of Chemical Physics, 1984
- Molecular Wave Functions: Calculation and Use in Atomic and Molecular ProcessesPublished by Elsevier ,1971
- Molecular IntegralsProgress of Theoretical Physics Supplement, 1967
- The Evaluation of Molecular Integrals for Slater‐Type OrbitalsAdvances in Chemical Physics, 1967