title: Exploring the utility of many-body expansions: a consistent set of accurate potentials for the lowest quartet and doublet states of the azide radical with revisited dynamics.
abstract: Starting from reliable double many-body expansion potentials calibrated with energies calculated at the state-of-the-art ab initio level but of varying accuracies, it is shown that a single scaling parameter suffices to bring them into consistency while mimicking key experimental data and leaving mostly unaffected crossing seams of the conical type. This emerges as a valuable asset of their underlying formalism. Use of the novel potentials for studying the dynamics of the N(⁴S/²D) + N₂(¹Σ(g)⁺) reactions yields results in excellent agreement with the most accurate available data.
authors.affiliation: Departamento de Quı́mica, Universidade de Coimbra , 3004-535 Coimbra, Portugal.
authors.forename: A J C
authors.initials: AJ
authors.lastname: Varandas
authors.forename: B R L
authors.initials: BR
authors.lastname: Galvão