The dipole and quadrupole derivatives of Hz0 and HzS are calculated antiytically using the coupled Hartree-Fock method fust proposed by Gerratt and Mills. The greater efficiency of this method aUows SCF \vavefunctions very close IO the Harrrec-Fock limit to be used. Agreemen: with experimental dLltn
Electric dipole moments and nuclear hyperfine interactions for H2S, HDS, and D2S
β Scribed by R. Viswanathan; T.R. Dyke
- Book ID
- 107802207
- Publisher
- Elsevier Science
- Year
- 1984
- Tongue
- English
- Weight
- 611 KB
- Volume
- 103
- Category
- Article
- ISSN
- 0022-2852
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π SIMILAR VOLUMES
The optical Stark effect in the Γ°0; 0Γ A 2 P-X 2 R ΓΎ band systems of a yttrium monosulfide, YS, supersonic molecular beam sample have been analyzed to produce the magnitude of the permanent electric dipole moments, jlj, for the A 2 P 3=2 , and A 2 P 1=2 states of 5.9(2), and 6.8(1) D, respectively.
## Recent experiments by Bergeman and tire led to a dipole moment of l&l = 1 .lO k 0.03 D for the v = 3 vibrational level of the A\* C' stzte of NO, whereas conflgxation interaction (CI) stud& by Green led to p = 0.39 D (N+O-), a serious discrepancy. We report herein ab initjo generalized valence