Valence-only molecular calculations with a non-empirical pseudopotential method
- 1 March 1979
- journal article
- Published by Taylor & Francis in Molecular Physics
- Vol. 37 (3) , 831-841
- https://doi.org/10.1080/00268977900103211
Abstract
No abstract availableKeywords
This publication has 6 references indexed in Scilit:
- Molecular MC SCF calculations by direct minimizationTheoretical Chemistry Accounts, 1977
- Non-empirical pseudopotentials for molecular calculationsMolecular Physics, 1977
- 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
- Roothaan-Hartree-Fock atomic wavefunctionsAtomic Data and Nuclear Data Tables, 1974
- Accuracy and limitations of the pseudopotential methodTheoretical Chemistry Accounts, 1974
- Valence-electron-only calculations of electronic structureChemical Physics Letters, 1973