2013 | OriginalPaper | Chapter
Modeling the Intermolecular Interactions and Characterization of the Dynamics of Collisional Autoionization Processes
Authors : Stefano Falcinelli, Marzio Rosi, Pietro Candori, Franco Vecchiocattivi, Alessio Bartocci, Andrea Lombardi, Noelia Faginas Lago, Fernando Pirani
Published in: Computational Science and Its Applications – ICCSA 2013
Publisher: Springer Berlin Heidelberg
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The autoionization dynamics of triatomic molecules induced by He
*
(2
3,1
S
1,0
) and Ne
*
(
3
P
2,0
) collisions has been discussed. The systems are analyzed by using an optical potential model within a semiclassical approach. The real part of the potential is formulated applying a semiempirical method, while the imaginary part has been used in the fitting procedure of the data adjusting its pre-exponential factor. The good agreement between calculations and experiment confirms the attractive nature of the potential energy surface driving the He
*
and Ne
*
-H
2
O dynamics.