Sixteen low-lying electronx states of NaLi arc investigated by SCF/~alence CI calculations including core polarization effects by means of an effective potential. Spectroscopic constants arc obtained with estimated uncertainties of AR, G 0.01 A, awe E 0.6 cm-' and nD, < 80 cm-' \_ f-rom a comparison
Ab initio potential energy curves for excited states of AIF
β Scribed by David M. Hirst
- Publisher
- Elsevier Science
- Year
- 1987
- Tongue
- English
- Weight
- 500 KB
- Volume
- 121
- Category
- Article
- ISSN
- 0022-2852
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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
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