title: A study of the bending motion in tetratomic molecules by the algebraic operator expansion method.
abstract: We study the bending motion in the tetratomic molecules C2H2 (X̃ (1)Σg (+)), C2H2 (Ã (1)Au) trans-S1, C2H2 (Ã (1)A2) cis-S1, and X̃ (1)A1 H2CO. We show that the algebraic operator expansion method with only linear terms comprised of the basic operators is able to describe the main features of the level energies 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 down to typically ∼10 cm(-1) over the entire range of energy 0-6000 cm(-1). We determine the parameters by fitting 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 and conventional methods, force-field expansions or Dunham-expansions plus perturbations, are difficult to apply.
authors.affiliation: Department of Chemistry, Yale University, New Haven, Connecticut 06520-8107, USA.
authors.forename: Danielle
authors.initials: D
authors.lastname: Larese
authors.affiliation: Department of Physics, University of Notre Dame, Notre Dame, Indiana 46556-5670, USA.
authors.forename: Mark A
authors.initials: MA
authors.lastname: Caprio
authors.affiliation: Depto. de Física Aplicada, Unidad Asociada CSIC-IEM, Facultad de CC. Experimentales, Universidad de Huelva, Huelva 21071, Spain.
authors.forename: Francisco
authors.initials: F
authors.lastname: Pérez-Bernal
authors.affiliation: Center for Theoretical Physics, Yale University, New Haven, Connecticut 06520-8120, USA.
authors.forename: Francesco
authors.initials: F
authors.lastname: Iachello