Franck–Condon factors using supervised artificial neural networks. I. The CF~+ cation

摘要

Several studies of the electronic and vibrational structure of CF~+ have been performed since this molecule was first discovered to occur in the interstellar medium, and even before that. However, researchers have paid little attention to calculating its Franck–Condon factors (FCFs), which can aid the identification of this molecule through comparison with the observed intensity spectrum. In this work, an analysis of all of the potential energy curves of CF~+ that were candidates for this kind of calculation was undertaken. The Franck–Condon factors of CF~+ were calculated using a supervised neural network with two layers and a variable learning rate.