Excited states of F and F2 centres in sodium fluoride
β Scribed by Maliyadde R. Chandratillake; G.W.A. Newton; V.J. Robinson
- Publisher
- Elsevier Science
- Year
- 1984
- Weight
- 232 KB
- Volume
- 23
- Category
- Article
- ISSN
- 0146-5724
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Ab initio molecular electronic structure theory has been applied to the r.ine lowest potential energy surfaces of NezF. A valence double zeta basis set was used in conjunction ti,th first-order configuration interaction wavefunctions. In analogy with the results of Wadt and Hay for Ar2 F, the 2 2B2
The excited siztes of F2 have been ~vestiga~ed as a function of the internuclear distance by a series of c~n~~ur~t~u~ interactiun crtkulations. Numerous avoided curve-cro&ngs between valence, Rydberg (3s and 3p), and ionic (FfF3 electronic states have been found. Transition moments from the ground s