title: The role of the long-range tail of the potential in O2+ N2collisional inelastic vibrational energy transfers.
abstract: In the study of non-reactive energy transfer between O2and N2molecules bearing different vibrationally excited states we have faced the problem of selecting a proper formulation of the interaction. To this end we have compared the values of the related observables computed either on a potential energy surface globally fitted to very large ab initio potential energy values [Varga et al., J. Chem. Phys., 2016, 144, 024310] or on two more traditional ones formulated as a combination of an intra- and inter-molecular model component of the interaction (and based on a different combined use of experimental and ab initio information) [Garcia et al., J. Phys. Chem. A, 2016, 120, 5208] in order to enforce an appropriate modelling of the long-range tail of the potential, crucial for the description of inelastic vibrational energy transfer. A detailed graphical analysis of the potential plus a quantitative analysis of the computed opacity functions, of the state-to-state rate coefficients, of the second virial coefficient and of the integral non-reactive cross section allowed us to conclude that the model formulation of the interaction has to be preferred for non-reactive studies of the O2+ N2energy transfer processes in thermal and subthermal regimes.
authors.affiliation: Departamento de Quimica Fisica, Universidad del Pais Vasco (UPV/EHU), 01006 Vitoria, Spain. e.garcia@ehu.es.
authors.forename: Ernesto
authors.initials: E
authors.lastname: Garcia
authors.forename: Fernando
authors.initials: F
authors.lastname: Pirani
authors.forename: Antonio
authors.initials: A
authors.lastname: Laganà
authors.forename: Carles
authors.initials: C
authors.lastname: Martí