Exploration of dynamical regimes of irradiated small protonated water clusters

Ndongmouo Taffoti UF, Dinh PM, Reinhard PG, Suraud E, Wang ZP (2010)

Publication Type: Journal article

Publication year: 2010

Journal

European Physical Journal D EDP Sciences: EPJ

Book Volume: 58

Pages Range: 131-136

Journal Issue: 1

DOI: 10.1140/epjd/e2010-00055-2

Abstract

We explore from a theoretical perspective the dynamical response of small water clusters, (H2O)nH3O+ with n=1,2,3, to a short laser pulse for various frequencies, from infrared (IR) to ultra-violet (UV) and intensities (from 6 ×1013}∼ W/cm 2 to 5 ×1014} W/cm2 ). To that end, we use time-dependent local-density approximation for the electrons, coupled to molecular dynamics for the atomic cores (TDLDA-MD). The local-density approximation is augmented by a self-interaction correction (SIC) to allow for a correct description of electron emission. For IR frequencies, we see a direct coupling of the laser field to the very light H+ ions in the clusters. Resonant coupling (in the UV) and/or higher intensities lead to fast ionization with subsequent Coulomb explosion. The stability against Coulomb pressure increases with system size. Excitation to lower ionization stages induced strong ionic vibrations. The latter maintain a rather harmonic pattern in spite of the sizeable amplitudes (often 10% of the bond length). © 2010 EDP Sciences, SIF, Springer-Verlag Berlin Heidelberg.

Involved external institutions

Centre CEA de Saclay (Essonne) FR France (FR) National Center for Scientific Research / Centre national de la recherche scientifique (CNRS) FR France (FR) Jiangnan University (JU) CN China (CN)

How to cite

APA:

Ndongmouo Taffoti, U.F., Dinh, P.M., Reinhard, P.G., Suraud, E., & Wang, Z.P. (2010). Exploration of dynamical regimes of irradiated small protonated water clusters. European Physical Journal D, 58(1), 131-136. https://dx.doi.org/10.1140/epjd/e2010-00055-2

MLA:

Ndongmouo Taffoti, U. F., et al. "Exploration of dynamical regimes of irradiated small protonated water clusters." European Physical Journal D 58.1 (2010): 131-136.

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