Publication Abstracts

Boulet and Ma 2016

Boulet, C., and Q. Ma, 2016: The relaxation matrix for symmetric tops with inversion symmetry. II. Line mixing effects in the v1 band of NH3. J. Chem. Phys, 144, no. 22, 224304, doi:10.1063/1.4952996.

Line mixing effects have been calculated in the v1 parallel band of self-broadened NH3. The theoretical approach is an extension of a semi-classical model to symmetric-top molecules with inversion symmetry developed in the companion paper [Q. Ma and C. Boulet, J. Chem. Phys. 144, 224303 (2016)]. This model takes into account line coupling effects and hence enables the calculation of the entire relaxation matrix. A detailed analysis of the various coupling mechanisms is carried out for Q and R inversion doublets. The model has been applied to the calculation of the shape of the Q branch and of some R manifolds for which an obvious signature of line mixing effects has been experimentally demonstrated. Comparisons with measurements show that the present formalism leads to an accurate prediction of the available experimental line shapes. Discrepancies between the experimental and theoretical sets of first order mixing parameters are discussed as well as some extensions of both theory and experiment.

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BibTeX Citation

@article{bo02300g,
  author={Boulet, C. and Ma, Q.},
  title={The relaxation matrix for symmetric tops with inversion symmetry. II. Line mixing effects in the v1 band of NH3},
  year={2016},
  journal={J. Chem. Phys},
  volume={144},
  number={22},
  pages={224304},
  doi={10.1063/1.4952996},
}

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RIS Citation

TY  - JOUR
ID  - bo02300g
AU  - Boulet, C.
AU  - Ma, Q.
PY  - 2016
TI  - The relaxation matrix for symmetric tops with inversion symmetry. II. Line mixing effects in the v1 band of NH3
JA  - J. Chem. Phys
VL  - 144
IS  - 22
SP  - 224304
DO  - 10.1063/1.4952996
ER  -

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