Potential function of the ozone molecule: global calculations of the rovibrational states and the dissociation behavior

Vladimir G. Tyuterev; T. Cours; Sergey A. Tashkun; Alain Barbe; P. Jensen

doi:10.1117/12.375367

25 January 2000 Potential function of the ozone molecule: global calculations of the rovibrational states and the dissociation behavior

Vladimir G. Tyuterev, T. Cours, Sergey A. Tashkun, Alain Barbe, P. Jensen

Author Affiliations +

Proceedings Volume 4063, 13th Symposium and School on High-Resolution Molecular Spectroscopy; (2000) https://doi.org/10.1117/12.375367
Event: 13th Symposium and School on High-Resolution Molecular Spectroscopy, 1999, Tomsk, Russian Federation

Abstract

Various empirical and ab initio potential energy surfaces (PES) of ozone are compared with recent accurate PES obtained by a variational fit to spectroscopic data. The value of the dissociation energy D_e obtained from this PES agrees well with recent experimental values. Problems in the normal mode assignment of highly excited vibrational states are discussed.

Citation Download Citation

Vladimir G. Tyuterev, T. Cours, Sergey A. Tashkun, Alain Barbe, and P. Jensen "Potential function of the ozone molecule: global calculations of the rovibrational states and the dissociation behavior", Proc. SPIE 4063, 13th Symposium and School on High-Resolution Molecular Spectroscopy, (25 January 2000); https://doi.org/10.1117/12.375367

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