Fragmentation of KrN+ clusters after electron impact ionization. Short-time dynamics simulations and approximate multi-scale treatment

Author:

Janeček Ivan1234ORCID,Naar Pavel56784,Stachoň Martin910114,Gadea Florent Xavier1213141516,Kalus René1718114

Affiliation:

1. Institute of Geonics of the AS CR, v.v.i.

2. and Institute of Clean Technologies for Mining and Utilization of Raw Materials for Energy Use

3. 708 00 Ostrava

4. Czech Republic

5. Department of Physics

6. Faculty of Sciences

7. University of Ostrava

8. 701 03 Ostrava

9. IT4Innovations National Supercomputing Center

10. VSB – Technical University of Ostrava

11. 708 33 Ostrava

12. LCPQ and UMR5626 du CNRS

13. IRSAMC

14. Université de Toulouse

15. 31062 Toulouse Cedex

16. France

17. IT4Innovations National Supercomputing Center and Department of Applied Mathematics

18. VŠB – Technical University of Ostrava

Abstract

Post-ionization fragmentation of small ionic krypton clusters, KrN+ (N = 3–13), has been investigated using a semiclassical non-adiabatic dynamics approach with inclusion of electronic quantum decoherence, and compared with experiment.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

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