MS-Xα calculations on boron trihalides and comparison with their photoelectron spectra
- 1 January 1976
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 37 (1), 55-59
- https://doi.org/10.1016/0009-2614(76)80160-1
Abstract
No abstract availableKeywords
This publication has 11 references indexed in Scilit:
- A new computational approach to Slater’s SCF–Xα equationThe Journal of Chemical Physics, 1975
- Multiple scattering method based on overlapping atomic spheres with application to the TCNQ moleculeThe Journal of Chemical Physics, 1974
- Electronic structure of UF6−The Journal of Chemical Physics, 1974
- 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
- SCF-X.alpha. scattered wave studies on bonding and ionization potentials. I. Hexafluorides of group VI elementsJournal of the American Chemical Society, 1974
- On the use of overllapping spheres in the SCF Xα scattered-wave methodChemical Physics Letters, 1973
- Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedureChemical Physics, 1973
- Calculation of molecular ESCA spectra by the multiple-scattering-Xα methodThe Journal of Chemical Physics, 1973
- Calculation of the ionization energies of the sulphur hexafluoride molecule by the multiple scattering methodChemical Physics Letters, 1971