title: Rovibrational energies and spectroscopic constants for H2O-Ng complexes.
abstract: In this work, rovibrational energies and spectroscopic constants for the water -Ng complexes (Ng = He, Ne, Ar, Kr and Xe) were calculated through two different approaches (by solving the Nuclear Schrödinger equation and by applying the Dunham's method) and using two different potential energy curves (PEC). These PEC were determined using potential parameters obtained through molecular beam scattering experiments and accurate theoretical calculation, respectively. It was found that the theoretical rovibrational energies are in a good agreement (only for the lowest numbers of vibrational states) with those obtained through experimental PEC. Another important conclusions was regarding the calculated first two rovibrational energies for the H 2 O-Ar system, that are in a good agreement with the experimental data.
authors.affiliation: Institute of Physics, University of Brasilia, CP 4455, Brasilia, 70919-970, Brazil.
authors.forename: Wiliam F
authors.initials: WF
authors.lastname: da Cunha
authors.forename: Rhuiago Mendes
authors.initials: RM
authors.lastname: de Oliveira
authors.forename: Luiz F
authors.initials: LF
authors.lastname: Roncaratti
authors.forename: João B L
authors.initials: JB
authors.lastname: Martins
authors.forename: Geraldo M
authors.initials: GM
authors.lastname: e Silva
authors.forename: Ricardo
authors.initials: R
authors.lastname: Gargano