Santra, Biswajit Theory, Fritz Haber Institute, Max Planck Society;
Tkatchenko, Alexandre Theory, Fritz Haber Institute, Max Planck Society;
Scheffler, Matthias Theory, Fritz Haber Institute, Max Planck Society;
arXiv:1307.3339.pdf (Preprint), 519KB
1.4824481.pdf (Publisher version), 764KB
Santra, B., Klimeš, J., Tkatchenko, A., Alfé, D., Slater, B., Michaelides, A., et al. (2013). On the Accuracy of van der Waals Inclusive Density-Functional Theory Exchange-Correlation Functionals for Ice at Ambient and High Pressures. The Journal of Chemical Physics, 139(15): 154702. doi:10.1063/1.4824481.