Literature DB >> 24766024

Quantum simulation of collective proton tunneling in hexagonal ice crystals.

Christof Drechsel-Grau1, Dominik Marx1.   

Abstract

The effect of proton tunneling on many-body correlated proton transfer in hexagonal ice is investigated by quantum simulation. Classical single-particle hopping along individual hydrogen bonds leads to charge defects at high temperature, whereas six protons in ringlike topologies can move concertedly as a delocalized quasiparticle via collective tunneling at low temperature, thus preventing the creation of high-energy topological defects. Our findings rationalize many-body quantum tunneling in hydrogen-bonded networks and suggest that this phenomenon might be more widespread than previously thought.

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Year:  2014        PMID: 24766024     DOI: 10.1103/PhysRevLett.112.148302

Source DB:  PubMed          Journal:  Phys Rev Lett        ISSN: 0031-9007            Impact factor:   9.161


  2 in total

1.  Emergence of correlated proton tunnelling in water ice.

Authors:  Onur Pusuluk; Tristan Farrow; Cemsinan Deliduman; Vlatko Vedral
Journal:  Proc Math Phys Eng Sci       Date:  2019-05-15       Impact factor: 2.704

2.  Ab initio thermodynamics of liquid and solid water.

Authors:  Bingqing Cheng; Edgar A Engel; Jörg Behler; Christoph Dellago; Michele Ceriotti
Journal:  Proc Natl Acad Sci U S A       Date:  2019-01-04       Impact factor: 11.205

  2 in total

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