Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water

  title={Solvent fluctuations and nuclear quantum effects modulate the molecular hyperpolarizability of water},
  author={Chungwen Liang and Gabriele Tocci and David M. Wilkins and Andrea Grisafi and Sylvie Roke and M. Ceriotti},
  journal={Physical Review B},
Second-harmonic scattering (SHS) experiments provide a unique approach to probe noncentrosymmetric environments in aqueous media, from bulk solutions to interfaces, living cells, and tissue. A central assumption made in analyzing SHS experiments is that each molecule scatters light according to a constant molecular hyperpolarizability tensor β(2). Here, we investigate the dependence of the molecular hyperpolarizability of water on its environment and internal geometric distortions, in order to… 

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