The statistics of electric field fluctuations in liquid water
Statistical Mechanics
2015-05-13 v1
Abstract
Electric field fluctuations play a major role in dissociation reactions in liquid water and determine its vibrational spectroscopic response. Here, we study the statistics of electric fields in liquid water using molecular dynamics computer simulations with a particular focus on the strong but rare fields that drive dissociation. Our simulations indicate that the important contributions to the electric field acting on OH bonds stem from water molecules less than 7 {\AA} away. Long-ranged contributions play a minor role.
Keywords
Cite
@article{arxiv.0903.4398,
title = {The statistics of electric field fluctuations in liquid water},
author = {Bernhard Reischl and Jürgen Köfinger and Christoph Dellago},
journal= {arXiv preprint arXiv:0903.4398},
year = {2015}
}