On electrons and hydrogen-bond connectivity in liquid water

Details On electrons and hydrogen-bond connectivity in liquid water On electrons and hydrogen-bond connectivity in liquid water

2005-07-14

arxiv.org/abs/cond-mat/0507319v1

Physics

Condensed Matter

Other Condensed Matter

4 pages, 4 figures

Scientific paper

10.1103/PhysRevLett.96.016404

The network connectivity in liquid water is revised in terms of electronic signatures of hydrogen bonds (HBs) instead of geometric criteria, in view of recent X-ray absorption studies. The analysis is based on ab initio molecular-dynamics simulations at ambient conditions. Even if instantaneous thread-like structures are observed in the electronic network, they continuously reshape in oscillations reminiscent of the r and t modes in ice (tau~170 fs). However, two water molecules initially joint by a HB remain effectively bound over many periods regardless of its electronic signature.

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