Eur. Phys. J. D (2017) 71: 46
https://doi.org/10.1140/epjd/e2017-70405-7

Regular Article

Production of the Q₂ doubly excited states of the hydrogen molecule by electron impact in a single step

¹ Instituto de Física, Universidade Federal do Rio de Janeiro, Cx. Postal 68528, 21941-972 Rio de Janeiro, Brazil
² Instituto de Qumica, Universidade Federal do Rio de Janeiro, 21941-909 Rio de Janeiro, Brazil

^a e-mail: leonardosantos@if.ufrj.br

Received: 23 June 2016
Received in final form: 24 September 2016
Published online: 2 March 2017

Abstract

We calculate the single step cross sections for excitation of Q₂ states of H₂ and its subsequent dissociation. The cross section calculations were performed within the first Born approximation and the electronic wave functions were obtained via State-Averaged Multiconfigurational Self-Consistent Field followed by Configuration Interaction. We have assumed autoionization is the only important process competing with dissociation into neutral atoms. We have estimated its probability through a semi classical approach and compared with results of literature. Special attention was given to the Q₂¹Σ_g⁺(1) state which, as has been shown in a previous work, may dissociate into H(2sσ) + H(2sσ) fragments (some figures in this article are in colour only in the electronic version).