Astronomy and Astrophysics – Astronomy
Scientific paper
May 2011
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2011iaus..280p.293p&link_type=abstract
The Molecular Universe, Posters from the proceedings of the 280th Symposium of the International Astronomical Union held in Tole
Astronomy and Astrophysics
Astronomy
Scientific paper
A formalism to model the ro-vibrational spectrum of triatomic asymmetric top molecules is presented. The quantum mechanical ro-vibrational kinetic and potential energy function is considered as a Taylor expansion in internal coordinates of Morse local oscillators. Thereafter, local Morse coordinates and momenta are expanded in terms of Morse Potential ladder operators. Only polyad-conserving terms are considered. Expansions of the kinetic and potential energies of the ro-vibrational Hamiltonian are considered up to sextic terms. The resulting Hamiltonian was diagonalized using a symmetry-adapted basis, generated by the eigenfunction method ( J.Q.Chen, Group Representation Theory for Physicists,World Scientific, 1989; R. Lemus, 2003 Mol.Phys., 101 2511-2528.). The model is applied to hydrogen sulfide (H_2S) and hydrogen selenide (H_2Se).
Alvarez-Bajo O.
Carvajal Miguel
Perez-Bernal F.
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