Physics
Scientific paper
Jun 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011mss..confetj05n&link_type=abstract
"International Symposium On Molecular Spectroscopy, 66th Meeting, Held 20-24 June, 2011 at Ohio State University. http://molspec
Physics
Theory
Scientific paper
The results of a theoretical calculation of the spectra associated with the laser induced fluorescence tilde{A}^2A_1→ tilde{X}^2E of both the methoxy molecule and CH_2DO are presented and discussed. The form of the vibronic dipole moment is determined by symmetry and the corresponding dipole expansion coefficients are calculated using ab initio methods. The calculated spectra include states up to 3000 Cm-1 above the zero point energy. We describe how the various features of the spectrum are related to coordinate dependent terms in the dipole expansion as well as the spin-orbit couplings, Jahn-Teller couplings, and vibrational anharmonicities.
Nagesh Jayashree
Sibert Edwin L. Sibert III
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