CI calculation on the Rydberg spectrum of H3
β Scribed by G.H.F. Diercksen; W. Duch; J. Karwowski
- Book ID
- 107734709
- Publisher
- Elsevier Science
- Year
- 1990
- Tongue
- English
- Weight
- 476 KB
- Volume
- 168
- Category
- Article
- ISSN
- 0009-2614
No coin nor oath required. For personal study only.
π SIMILAR VOLUMES
Theoretical calculations are presented on the vertical spectra of H2S as well as along bending and symmetric dissociation paths. The results show that interactions of the dissociating 'A, (5a,d6a, (4s)) state with the (%,-+a~, np, nd) Rydberg states might lead to predlssociation of the latter, for R
Open shell SCF and internal CT1 calculations have been perforrucd for seven shakeup confiiuraticns of H20. SCF calculations WI aI least one ot lhc two doublet St;tiCS were carried out for each shake-up conf@uration. The internal Cl caIculations were pcrfurrued using appropriate MO's. In ;IIl configu