A study of the accuracy of the pseudo-potential formalism
- 15 April 1980
- journal article
- Published by Elsevier in Chemical Physics Letters
- Vol. 71 (2), 202-206
- https://doi.org/10.1016/0009-2614(80)80147-3
Abstract
No abstract availableKeywords
This publication has 7 references indexed in Scilit:
- Low-lying states of cs22+Chemical Physics Letters, 1980
- A b i n i t i o effective core potentials for molecular calculations. II. All-electron comparisons and modifications of the procedureThe Journal of Chemical Physics, 1978
- 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
- A modified pseudopotential approach to the heavy-atomic molecular systems: Application to the X 2Σ1/2+, A 2Π1/2, and the A 2Π3/2 states of the HgH moleculeThe Journal of Chemical Physics, 1976
- On pseudopotential and effective-potential SCF theory and its application to compounds of heavy elementsThe Journal of Chemical Physics, 1975
- Atomic and Molecular Calculations with the Pseudopotential Method. II. Exact Pseudopotentials for Li, Na, K, Rb, Be+, Mg+, Ca+, Al++, Cu, and Zn+The Journal of Chemical Physics, 1967
- New Method for Calculating Wave Functions in Crystals and MoleculesPhysical Review B, 1959