PotentA energy curves for low-lying doublet states of AlH+ dlssociatmg to Ai+ + H, Al+(3P) f H, Ai+ f Hand Al(\*P) + H+ have been detemuned by ab mitt0 confiiatton interaction calculations. Tbe B' \*E+ state is predicted to be bound with a bond length of 2.06 A. Shallow muum are found for 4 \*Z+ and
Empirical determination of the potential curves of the ground state and the first two excited states of Kr2
β Scribed by K. Barzen; P. Wollenweber; H. Schmoranzer
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 462 KB
- Volume
- 142
- Category
- Article
- ISSN
- 0009-2614
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A new closed-form quantum mechanical formula for the inversion of spectroscopic data to yield excited state potentials is developed. The method uses fluorescence frequencies, line strength data and the ground state potential. Contrary to the RKR procedure, the method is not limited to diatomic molec
The electronrc wavefunctlons and potential tunes for the ground states of the Cl2 and Brz molecules are calculated usmg pseudo-potent& techmques The agreement with experunent for both molecules IS sattiactory For Cl2 all-electron calcuhtlons are also performed as a study of the accuracy of the pseud