Publication Abstracts

Green and Zare 1977

Green, S., and R.N. Zare, 1977: Ab initio calculation of the spin-rotation constant for 2Π diatomics: Test of the Van Vleck approximation. J. Molec. Spectrosc., 64, 217-222, doi:10.1016/0022-2852(77)90261-2.

Ab initio calculations are carried out to determine γΠ (true), the first-order contribution to the spin-rotation constant, γΠ, for the X2Π ground states of OH, HF+, and HCl+ and their deuterated analogs. These calculations demonstrate that the contribution of this term to the experimentally determined value of γΠ is γ previously conjectured. Furthermore, it is found in the cases under study that the Van Vleck approximation to γΠ (true) significantly overestimates its importance, and a more realistic approximation is presented.

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BibTeX Citation

@article{gr02800o,
  author={Green, S. and Zare, R. N.},
  title={Ab initio calculation of the spin-rotation constant for 2Π diatomics: Test of the Van Vleck approximation},
  year={1977},
  journal={Journal of Molecular Spectroscopy},
  volume={64},
  pages={217--222},
  doi={10.1016/0022-2852(77)90261-2},
}

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RIS Citation

TY  - JOUR
ID  - gr02800o
AU  - Green, S.
AU  - Zare, R. N.
PY  - 1977
TI  - Ab initio calculation of the spin-rotation constant for 2Π diatomics: Test of the Van Vleck approximation
JA  - J. Molec. Spectrosc.
JO  - Journal of Molecular Spectroscopy
VL  - 64
SP  - 217
EP  - 222
DO  - 10.1016/0022-2852(77)90261-2
ER  -

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