Anomalous nuclear quantum effects in ice.

  title={Anomalous nuclear quantum effects in ice.},
  author={Bet{\"u}l Pamuk and Jos{\'e} M. Soler and R V Santana Ramirez and Carlos Fernando P.S. Herrero and Peter W. Stephens and P B Allen and M-V Fern{\'a}ndez-Serra},
  journal={Physical review letters},
  volume={108 19},
One striking anomaly of water ice has been largely neglected and never explained. Replacing hydrogen (1H) by deuterium (2H) causes ice to expand, whereas the normal isotope effect is volume contraction with increased mass. Furthermore, the anomaly increases with temperature T, even though a normal isotope shift should decrease with T and vanish when T is high enough to use classical nuclear motions. In this study, we show that these effects are very well described by ab initio density… CONTINUE READING

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