Momentum distribution, vibrational dynamics, and the potential of mean force in ice

Lin Lin,1 Joseph A. Morrone,2,* Roberto Car,1,2,3,† and Michele Parrinello4 1Program in Applied and Computational Mathematics, Princeton University, Princeton, NJ 08544, USA 2Department of Chemistry, Princeton University, Princeton, NJ 08544, USA 3Department of Physics, Princeton University, Princeton, NJ 08544, USA 4Computational Science, Department of Chemistry and Applied Biosciences, Eidgenössische Technische Hochschule Zürich, USI Campus, Via Giuseppe Buffi 12, CH-6900 Lugano, Switzerland (Received 13 May 2011; published 10 June 2011)