Abstract

The linear and nonlinear dielectric response of water to spatially varying electric fields of different wavelength and field strengths is calculated by means of molecular dynamics computer simulation for a central force model of water. We find that nonlinear effects are strongest at $k\ensuremath{\approx}3{\AA{}}^{\ensuremath{-}1}$, where the linear response function $\ensuremath{\chi}(k)\phantom{\rule{0ex}{0ex}}=\phantom{\rule{0ex}{0ex}}1\ensuremath{-}1/\ensuremath{\epsilon}(k)$ has its main maximum. For small $k$ the response is linear up to field strengths of ${E}_{0}\ensuremath{\approx}1\mathrm{V}/\AA{}$. A phenomenological theory is discussed which reproduces the main nonlinear effects found in the simulation.

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