Crystalline ice; Exchange-correlation functionals; First principles method; High pressure; High-pressure phasis; Lattice energies; Quantum Monte carlo; Transition pressure; Van der waals; Density functional theory; Hydrogen; Ice; Molecular crystals; Monte Carlo methods; Pressure effects; Time varying systems; Van der Waals forces; Wave functions; Hydrogen bonds
Santra, B.; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
Klimeš, J.; London Centre for Nanotechnology, University College London, London WC1E 6BT, United Kingdom ; Department of Chemistry, University College London, London WC1E 6BT, United Kingdom, Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom ; Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom
Alfè, D.; London Centre for Nanotechnology, University College London, London WC1E 6BT, United Kingdom ; Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom, Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom, Department of Earth Sciences, University College London, London WC1E 6BT, United Kingdom ; Department of Physics and Astronomy, University College London, London WC1E 6BT, United Kingdom
Slater, B.; Department of Chemistry, University College London, London WC1E 6BT, United Kingdom ; Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom
Michaelides, A.; London Centre for Nanotechnology, University College London, London WC1E 6BT, United Kingdom ; Department of Chemistry, University College London, London WC1E 6BT, United Kingdom ; Thomas Young Centre, University College London, London WC1E 6BT, United Kingdom
Car, R.; Department of Chemistry, Princeton University, Princeton, NJ 08544, United States
Scheffler, M.; Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, 14195 Berlin, Germany
External co-authors :
yes
Title :
Hydrogen bonds and van der Waals forces in ice at ambient and high pressures