AB initio and pseudopotential energy curves for NaK
β Scribed by R. Janoschek; H.U. Lee
- Book ID
- 103018845
- Publisher
- Elsevier Science
- Year
- 1978
- Tongue
- English
- Weight
- 595 KB
- Volume
- 58
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
Potential energy curves of several low lying electronic states of NaK have been determined by the ab initio and pseudopotential methods. The results are in close weement with published spectroscopic data. In particuhr, we identify the 3~ perturbing states suggested from the studies of Loomis and Arvin and of Breford and Engelke.
π SIMILAR VOLUMES
Ground-state properties of palladium-hydrogen systems are investigated in the framework of density functional theory in the local-density approximation. Norm-conserving ab initio pseudopotentials are used to describe the interactions between electrons and ion cores. The crystalline wave functions an