Theoretical and computational analysis at a quantum state level of autoionization processes in astrochemistry

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Abstract

Changes in atomic-molecular alignment and/or in molecular orientation, can affect strongly the fate of basic collision events. However, a deep knowledge of these phenomena is still today not fully understood, although it is of general relevance for the control of the stereo-dynamics of elementary chemical-physical processes, occurring under a variety of conditions, both in gas phase and at surface. In particular, understanding the mode-specificity in reaction dynamics of open-shell atoms, free radicals, molecules, atomic and molecular ions, under hyper-thermal, thermal and sub-thermal conditions is of fundamental importance for catalysis, plasmas, photo-dynamics as well as interstellar and low-temperature chemistry. In this paper recent results on the role of atomic alignment effects on the stereo-dynamics of autoionization reactions are presented and discussed.

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Falcinelli, S., Pirani, F., Rosi, M., & Vecchiocattivi, F. (2020). Theoretical and computational analysis at a quantum state level of autoionization processes in astrochemistry. In Lecture Notes in Computer Science (including subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformatics) (Vol. 12251 LNCS, pp. 693–706). Springer Science and Business Media Deutschland GmbH. https://doi.org/10.1007/978-3-030-58808-3_50

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