Analytical Potential Energy Formulation for a New Theoretical Approach in Penning Ionization

Falcinelli, Stefano; Rosi, Marzio; Vecchiocattivi, Franco; Pirani, Fernando

doi:10.1007/978-3-030-24302-9_21

Cited by 1 publication

(2 citation statements)

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“…The interaction components, formulated as summarized above and published in recent papers [ 45 , 53 ], permitted us to calculate within the semiclassical method outlined in Sect. 3 , the total ionization cross sections in a wide collision energy range for three investigated (where Ng = Ar, Kr and Xe) autoionization systems.…”

Section: Resultsmentioning

confidence: 99%

“…In our theoretical approach, the two V and Г components are, for the first time, considered as interdependent [ 5 , 45 ], whose magnitude is related to the internuclear distance, R, between X and Y, their relative orientation and the manifold of quantum states attainable for the system along the collision.…”

Section: The Theoretical and Computational Approachmentioning

confidence: 99%

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Theoretical and Computational Analysis at a Quantum State Level of Autoionization Processes in Astrochemistry

Falcinelli

Pirani

Rosi

et al. 2020

Computational Science and Its Applications – ICCSA 2020

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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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Section: Resultsmentioning

confidence: 99%

Section: The Theoretical and Computational Approachmentioning

confidence: 99%