Non-empirical pseudopotentials for molecular calculations
Improved three-parameter atomic pseudopotentials are theoretically determined from lithium to krypton. In view of further molecular calculations, accurate expressions are given ...
Publications
2 shownNon-empirical pseudopotentials for molecular calculations
Abstract The ability of the atomic pseudopotential proposed in Part I to reproduce the all-electron basis set extension and correlation effects in molecules has been tested on F...
Frequent Co-Authors
Researcher Info
- h-index
- 2
- Publications
- 2
- Citations
- 415
- Institution
- Laboratoire de Chimie et Physique Quantiques
External Links
Impact Metrics
h-index
2
h-index: Number of publications with at least h citations each.