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Total: 10 results found.

2000

... C. Böhm, J. Schulte, R. Ramírez and E. Hernández. Linear scaling ab initio calculations in nanoscale materials with SIESTA. physica status solidi, 217, (2000), pp. 335-356.P. Ordejón. Large scale  ...

2002

...  Inorganic Chemistry, 41 (18), (2002), pp. 4689-4699 R. Gautier, O.K. Andersen, P. Gougeon, J.-F. Halet, E. Canadell and J.D. Martin   17.- The SIESTA method for ab initio order-N materials simulation  ...

2004

... properties of materials from first principles with SIESTA Structure and Bonding, 113, (2004), pp. 103-170 D. Sánchez-Portal, P. Ordejón and E. Canadell   15.- First principles study of gold absorption ...

2008

...   E. Artacho, E. Anglada, O. Diéguez, J.D. Gale, A. García, J. Junquera, R.M. Martin, P. Ordejón, J.M. Pruneda, D. Sánchez-Portal and J.M. Soler The SIESTA method; developments and applicability Journ ...

2011

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2014

... 2 255. Amato, M; Rurali, R; Palummo, M; Ossicini, S Understanding doping at the nanoscale: the case of codoped Si and Ge nanowires (2014) Journal of Physics D-Applied Physics, 47 (39), 394013 2 ...

2017

...  The next-generation TRANSIESTA (2017), Computer Physics Communications, 212, pp. 8-24 Also included in RL3 34.  Antonio Seijas-Bellido, Juan; Escorihuela-Sayalero, Carlos; Royo, Miquel; Ljungberg ...

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