The spin-spin and spin-orbit contributions to the fine-structure constant of 02 in its X3cg state are determined by ab initio met!lods. For the spin-spin interaction ;iss, an extensive configuration interaction (Cl) calculation is cdrried out with a Slater basis set of double-zeta quality. The corre
Theoretical investigation of the rovibrational fine-structure spectrum of ArNH in its electronic ground state
✍ Scribed by Georg Jansen; Bernal A. Hess; Paul E.S. Wormer
- Publisher
- Elsevier Science
- Year
- 1993
- Tongue
- English
- Weight
- 502 KB
- Volume
- 214
- Category
- Article
- ISSN
- 0009-2614
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✦ Synopsis
Based on an ab initio potential energy surface for the X 3A" ground state of the Ar-NH van der Waals complex its rovibrational fine-structure spectrum has been calculated. We find four Ar-NH stretching vibrational modes with the NH radical in a nearly unperturbed n-0 rotational state and one vibrational mode with NH in its first excited rotational level n= 1. The results are discussed and interpreted by means of pseudodiatomic model calculations.
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