Two‐Dimensional fully numerical solutions of molecular Schrödinger equations. II. Solution of the Poisson equation and results for singlet states of H2 and HeH+
- 1 January 1983
- journal article
- research article
- Published by Wiley in International Journal of Quantum Chemistry
- Vol. 23 (1), 319-323
- https://doi.org/10.1002/qua.560230127
Abstract
No abstract availableKeywords
This publication has 12 references indexed in Scilit:
- Two‐dimensional fully numerical solutions of molecular Schrödinger equations. I. One‐electron moleculesInternational Journal of Quantum Chemistry, 1983
- On application of 0s orbitals in SCF calculationsThe Journal of Chemical Physics, 1981
- Accurate and stable numerical Hartree–Fock calculations for atoms. I. The 1s2 ground state of H−, He, Li+, and Be++International Journal of Quantum Chemistry, 1979
- Piecewise polynomial electronic wavefunctionsThe Journal of Chemical Physics, 1977
- The partial-wave self-consistent-field method for diatomic molecules: Computational formalism and results for small moleculesThe Journal of Chemical Physics, 1975
- Hartree-Fock-Roothaan wavefunctions for diatomic moleculesAtomic Data and Nuclear Data Tables, 1974
- Reduced Partitioning Procedure in Configuration Interaction Studies. I. Ground StatesThe Journal of Chemical Physics, 1972
- Theoretical Model for the Differential Quenching Rates of CO Fluorescence by Ortho- and ParahydrogenThe Journal of Chemical Physics, 1971
- Hartree—Fock—Roothaan Wavefunctions, Potential Curves, and Charge-Density Contours for the HeH+(X 1Σ+) and NeH+(X 1Σ+) Molecule IonsThe Journal of Chemical Physics, 1965
- Accurate Electronic Wave Functions for theMoleculeReviews of Modern Physics, 1960