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International Conference on Computational Science and Its Applications

ICCSA 2016: Computational Science and Its Applications – ICCSA 2016 pp 258–272Cite as

A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes

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Part of the book series: Lecture Notes in Computer Science ((LNTCS,volume 9786))

Abstract

The analysis of energy spectra of emitted electrons is of great relevance to understand the main characteristics of the potential energy surfaces and of the stereodynamics of the collisional autoionization processes. In this work we analyze the electron kinetic energy spectra obtained in our laboratory in high resolution crossed beam experiments. For such an analysis, a novel semi-classical method is proposed, that assumes ionization events as mostly occurring in the vicinities of the collision turning points. The potential energy driving the system in the relevant configurations of the entrance and exit channels, used in the spectrum simulation, has been formulated by the use of a semi-empirical method. The analysis puts clearly in evidence how different approaches of the metastable atom to the target molecule lead to ions in different electronic states.

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Acknowledgments

Financial contributions from the MIUR (Ministero dell’Istruzione, dell’Università e della Ricerca) through PRIN 2009 (Grant 2009W2W4YF_002) project is gratefully acknowledged. The authors thank “Fondazione Cassa di Risparmio di Perugia” for a partial support (Project code: 2014.0255.021).

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Authors and Affiliations

  1. Department of Civil and Environmental Engineering, University of Perugia, Via G. Duranti 93, 06125, Perugia, Italy

    Stefano Falcinelli, Marzio Rosi & Franco Vecchiocattivi

  2. Department of Chemistry, Biology and Biotechnologies, University of Perugia, Via Elce di Sotto, 8, 06123, Perugia, Italy

    Fernando Pirani, Noelia Faginas Lago & Andrea Nicoziani

Authors
  1. Stefano Falcinelli
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  2. Marzio Rosi
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  3. Fernando Pirani
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  4. Noelia Faginas Lago
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  5. Andrea Nicoziani
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  6. Franco Vecchiocattivi
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Corresponding author

Correspondence to Stefano Falcinelli .

Editor information

Editors and Affiliations

  1. University of Perugia , Perugia, Italy

    Osvaldo Gervasi

  2. University of Basilicata , Potenza, Italy

    Beniamino Murgante

  3. Covenant University , Ota, Nigeria

    Sanjay Misra

  4. University of Minho , Braga, Portugal

    Ana Maria A. C. Rocha

  5. Polytechnic University , Bari, Italy

    Carmelo M. Torre

  6. Monash University , Clayton, Victoria, Australia

    David Taniar

  7. Kyushu Sangyo University , Fukuoka, Japan

    Bernady O. Apduhan

  8. Saint Petersburg State University , Saint Petersburg, Russia

    Elena Stankova

  9. Beijing University of Posts & Telecommunication , Beijing, China

    Shangguang Wang

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Falcinelli, S., Rosi, M., Pirani, F., Lago, N.F., Nicoziani, A., Vecchiocattivi, F. (2016). A Theoretical and Computational Approach to a Semi-classical Model for Electron Spectroscopy Calculations in Collisional Autoionization Processes. In: Gervasi, O., et al. Computational Science and Its Applications – ICCSA 2016. ICCSA 2016. Lecture Notes in Computer Science(), vol 9786. Springer, Cham. https://doi.org/10.1007/978-3-319-42085-1_20

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  • DOI: https://doi.org/10.1007/978-3-319-42085-1_20

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