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http://hdl.handle.net/11154/3198
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Title: | Algebraic local vibrational spectroscopic description of formaldehyde |
Authors: | Bernal, R Lemus, R |
Issue Date: | 2006 |
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 Poschl-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 (Poschl-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). (C) 2005 Elsevier Inc. All rights reserved. |
URI: | http://hdl.handle.net/11154/3198 |
ISSN: | 0022-2852 |
Appears in Collections: | Ciencias
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