Exploration of dynamical regimes of irradiated small protonated water clusters

Details Exploration of dynamical regimes of irradiated small protonated water clusters Exploration of dynamical regimes of irradiated small protonated water clusters

2010-02-17

arxiv.org/abs/1002.3232v1

Physics

Condensed Matter

Other Condensed Matter

accepted in Eur. J. Phys. D

Scientific paper

We explore from a theoretical perspective the dynamical response of small water clusters, (H$_2$O)$_n$H$_3$O$^+$ with $n=1,2,3$, to a short laser pulse for various frequencies, from infrared (IR) to ultra-violet (UV) and intensities (from $6\times10^{13}$ W/cm$^2$ to $5\times10^{14}$ W/cm$^2$). 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. These maintain rather harmonic pattern in spite of the sizeable amplitudes (often 10% of the bond length).

Affiliated with

Also associated with

No associations

Rating

Exploration of dynamical regimes of irradiated small protonated water clusters does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with Exploration of dynamical regimes of irradiated small protonated water clusters, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Exploration of dynamical regimes of irradiated small protonated water clusters will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-51779