Self-consistent molecular hartree—fock—slater calculations. IV. On electron densities, spectroscopic constants and proton affinities of some small molecules
- 15 September 1976
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 16 (4), 371-379
- https://doi.org/10.1016/0301-0104(76)80083-3
Abstract
No abstract availableThis publication has 31 references indexed in Scilit:
- Molecular charge distribution of COChemical Physics Letters, 1975
- Investigation of the muffin-tin approximations for potential and charge density in the MS-X? method by means of calculations of H2OTheoretical Chemistry Accounts, 1975
- Calculation of the total energy in the multiple scattering-Xα method. II. Numerical technique and resultsThe Journal of Chemical Physics, 1974
- Calculation of the total energy in the multiple scattering-Xα method. I. General theoryThe Journal of Chemical Physics, 1974
- Effects of the exchange parameters on the binding energy in the SCF Xα scattered wave methodChemical Physics Letters, 1974
- Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedureChemical Physics, 1973
- A multiple-scattering Xα study of silane and germaneChemical Physics Letters, 1973
- Calculations of potential barriers using the SCF Xα SW method NH3 and H2O2Chemical Physics Letters, 1973
- Self-consistent-field × α cluster calculations for the ground state Ne2 moleculeChemical Physics Letters, 1972
- Total Energy in the Multiple Scattering Formalism: Application to the Water MoleculeThe Journal of Chemical Physics, 1972