Discrete Variational Xα Cluster Calculations. I. Application to Metal Clusters
- 1 September 1978
- journal article
- Published by Physical Society of Japan in Journal of the Physics Society Japan
- Vol. 45 (3), 875-883
- https://doi.org/10.1143/jpsj.45.875
Abstract
No abstract availableKeywords
This publication has 25 references indexed in Scilit:
- Molecular cluster theory of CO chemisorption on a nickel(100) surfaceSurface Science, 1977
- Calculations of molecular ionization energies using a self-consistent-charge Hartree–Fock–Slater methodThe Journal of Chemical Physics, 1976
- Molecular cluster theory for chemisorption of first row atoms on nickel (100) surfacesSurface Science, 1976
- The electronic structure of transition metal carbonyl complexesMolecular Physics, 1975
- An efficient numerical multicenter basis set for molecular orbital calculations: Application to FeCl4The Journal of Chemical Physics, 1973
- Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small moleculesChemical Physics, 1973
- Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedureChemical Physics, 1973
- The SCF-Xα Scattered-Wave MethodPublished by Springer Nature ,1973
- Discrete Variational Method for the Energy-Band Problem with General Crystal PotentialsPhysical Review B, 1970
- ``Multiple-Scattering'' Model for Polyatomic MoleculesThe Journal of Chemical Physics, 1966