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vdW-DF Study of energetic, structural, and vibrational properties of small water clusters and ice Ih
vdW-DF small water clusters ice Ih
2011/9/15
We present results for a density functional theory study of small water clusters and hexagonal ice Ih, using the van der Waals density functional (vdW-DF). In particular, we examine energetic,structur...
Ground-State Structures of Ice at High-Pressures
High-Pressures Ground-State Structures Ice
2011/9/13
Ab initio random structure searching based on density functional theory is used to determine the ground-state structures of ice at high pressures. Including estimates of lattice zero-point energies,ic...
The Proton Momentum Distribution in Water and Ice
The Proton Momentum Distribution Water Ice
2010/10/18
Deep Inelastic Neutron Scattering (Neutron Compton Scattering), is used to measure the momentum distribution of the protons in water from temperatures slightly below freezing to the supercritical phas...