magsil-1-1
Semi-relativistic, self-consistent charge Slater-Koster tables for density-functional based tight-binding (DFTB) for materials science simulations.
Relevant publications
| [1] | J. Frenzel, A. F. Oliveira N. Jardillier, T.Heine & G Seifert, "Semi-relativistic, self-consistent charge Slater-Koster tables for density-functional based tight-binding (DFTB) for materials science simulations." TU-Dresden 2004-2009. |
| [2] | Lourenco, M. P.; de Oliveira, C.; Oliveira, A. F.; Guimarães, L.; Duarte, H. A.; Structural, Electronic, and Mechanical Properties of Single-Walled Chrysotile Nanotube Models. Phys. Chem. C, 2012, 116 (17). DOI: 10.1021/jp301048p |
| [3] | Guimaraes, L., Enyashin, A. N., Frenzel, J., Heine, T., Duarte, H. A. & Seifert, G., "Imogolite Nanotubes: Stability, electronic and mechanical properties", Nano, 2007, 1, 362-368. http://dx.doi.org/10.1021/nn700184k |
Publications to be cited
| Complete set | [1] |
| Mg-O-Si-H | [2], [3] |
License
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