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Showing 2013 · cond-mat.mtrl-sciShow all
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cond-mat.mtrl-sci2013★ 19 cited
Implementation of van der Waals Density Functional Approach to the Spin-Polarized System: Interaction Potential between Oxygen Molecules
Masao Obata, Makoto Nakamura, Ikutaro Hamada +1
We propose a practical approach to spin-polarized systems within the van der Waals density functional (vdW-DF). The method was applied to a gas phase oxygen molecule and a parallel…
cond-mat.mtrl-sci2013★ 44 cited
Thermally populated intrinsic localized modes in pure alkali halide crystals
A. J. Sievers, M. Sato, J. B. Page +1
The possibility of thermal excitation of intrinsic localized modes (ILMs) arising from anharmonicity in ionic perfect crystals is studied numerically for realistic model systems in…