RT Journal Article
T1 A study of the bending motion in tetratomic molecules by the algebraic operator expansion method
A1 Larese, Danielle
A1 Caprio, Mark A.
A1 Pérez Bernal, Francisco
A1 Iachello, F.
AB We study the bending motion in the tetratomic molecules C2H2 (˜X 1 +g ), C2H2 ( ˜A 1Au) trans-S1,C2H2 ( ˜A 1A2) cis-S1, and ˜X 1A1 H2CO. We show that the algebraic operator expansion method withonly linear terms comprised of the basic operators is able to describe the main features of the levelenergies in these molecules in terms of two (linear) or three (trans-bent, cis-bent, and branched) parameters.By including quadratic terms, the rms deviation in comparison with experiment goes downto typically ∼10 cm−1 over the entire range of energy 0–6000 cm−1.We determine the parameters byfitting the available data, and from these parameters we construct the algebraic potential functions.Our results are of particular interest in high-energy regions where spectra are very congested andconventional methods, force-field expansions or Dunham-expansions plus perturbations, are difficultto apply.
PB American Institute of Physics
SN 0021-9606
SN 1089-7690 (electrónico)
YR 2014
FD 2014
LK http://hdl.handle.net/10272/8135
UL http://hdl.handle.net/10272/8135
LA eng
NO Larese, D., Caprio, M.A., Pérez Bernal, F.,  Iachello, F.: "A study of the bending motion in tetratomic molecules by the algebraic operator expansion method". Journal of Chemical Physics. 140, 014304 (2014). ISSN 0021-9606
DS Repositorio Institucional de la Universidad de Huelva
RD 13 jun 2026