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 (プレプリント), 519KB
1.4824481.pdf (出版社版), 764KB
Santra, B., Klimeš, J., Tkatchenko, A., Alfé, D., Slater, B., Michaelides, A., Car, R., & Scheffler, M. (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):. doi:10.1063/1.4824481.