Journal
PHYSICAL REVIEW LETTERS
Volume 96, Issue 1, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevLett.96.016404
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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 threadlike structures are observed in the electronic network, they continuously reshape in oscillations reminiscent of the r and t modes in ice (tau similar to 170 fs). However, two water molecules initially joined by a HB remain effectively bound over many periods regardless of its electronic signature.
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