The use of pseudopotentials within local-density formalism calculations for atoms: Some results for the first row
- 15 July 1977
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 49 (2) , 367-373
- https://doi.org/10.1016/0009-2614(77)80607-6
Abstract
No abstract availableKeywords
This publication has 22 references indexed in Scilit:
- A b i n i t i o effective core potentials: Reduction of all-electron molecular structure calculations to calculations involving only valence electronsThe Journal of Chemical Physics, 1976
- Pseudopotential SCF method for valence-only molecular calculationsJournal of the American Chemical Society, 1975
- First principles derivation of the effective valence shell Hamiltonian for large moleculesThe Journal of Chemical Physics, 1975
- Atomic and molecular calculations with the model potential method. IThe Journal of Chemical Physics, 1974
- Pseudopotentials and localized molecular orbitals. Application to the methane moleculeChemical Physics Letters, 1972
- Use of Ab Initio G1 Effective Potentials for Calculations of Molecular Excited StatesThe Journal of Chemical Physics, 1972
- Use of Pseudopotentials in Atomic-Structure CalculationsThe Journal of Chemical Physics, 1968
- New Method for Calculating Wave Functions in Crystals and MoleculesPhysical Review B, 1959
- über die metallische BindungThe European Physical Journal A, 1935
- A New Approximation Method in the Problem of Many ElectronsThe Journal of Chemical Physics, 1935