Abstract
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 and modes in ice (). However, two water molecules initially joined by a HB remain effectively bound over many periods regardless of its electronic signature.
- Received 13 July 2005
DOI:https://doi.org/10.1103/PhysRevLett.96.016404
©2006 American Physical Society