Article ID Journal Published Year Pages File Type
5416189 Journal of Molecular Spectroscopy 2006 17 Pages PDF
Abstract
The spectroscopic description of vibrational excitations of the molecule of formaldehyde is presented in the framework of a local model, where Morse potentials are associated with the stretching and bending modes, while a Pöschl-Teller potential is considered for the out-of-plane mode. An effective Hamiltonian in constructed in terms of tensorial couplings among basic operator units associated with the fundamentals. This approach is equivalent to take a linear approximation for the expansion of the coordinates and momenta in terms of creation and annihilation operators of the Morse (Pöschl-Teller) potential. Most of Darling-Dennison and Fermi-like interactions consistent with the preservation of the polyad are taken into account. These interactions, together with the anharmonic contributions provides a total of 43 interactions, which were considered to carried out a fit of 260 energy states, obtaining an rms deviation of 2.39 cm−1.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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