SCF DVM-Xα with basis set of numerical Hartree—Fock functions and its applications to MoF6, WF6, and UF6
- 1 October 1980
- journal article
- Published by Elsevier in Chemical Physics
- Vol. 51 (3) , 459-471
- https://doi.org/10.1016/0301-0104(80)80119-4
Abstract
No abstract availableKeywords
This publication has 40 references indexed in Scilit:
- Theory and applications of an atoms in molecules approach to the Xα-SCF methodThe Journal of Chemical Physics, 1977
- Calculations of molecular ionization energies using a self-consistent-charge Hartree–Fock–Slater methodThe Journal of Chemical Physics, 1976
- A new computational approach to Slater’s SCF–Xα equationThe Journal of Chemical Physics, 1975
- An efficient numerical multicenter basis set for molecular orbital calculations: Application to FeCl4The Journal of Chemical Physics, 1973
- 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
- Scattered-Wave Theory of the Chemical BondPublished by Elsevier ,1973
- ``Multiple-Scattering'' Model for Polyatomic MoleculesThe Journal of Chemical Physics, 1966
- New Developments in Molecular Orbital TheoryReviews of Modern Physics, 1951
- A Simplification of the Hartree-Fock MethodPhysical Review B, 1951