The SIESTA method for ab initio order-N materials simulation JM Soler, E Artacho, JD Gale, A García, J Junquera, P Ordejón, ... Journal of Physics: Condensed Matter 14 (11), 2745, 2002 | 13977 | 2002 |
Density‐functional method for very large systems with LCAO basis sets D Sánchez‐Portal, P Ordejon, E Artacho, JM Soler International journal of quantum chemistry 65 (5), 453-461, 1997 | 1962 | 1997 |
Linear‐scaling ab‐initio calculations for large and complex systems E Artacho, D Sánchez‐Portal, P Ordejón, A Garcia, JM Soler physica status solidi (b) 215 (1), 809-817, 1999 | 1320 | 1999 |
Numerical atomic orbitals for linear-scaling calculations J Junquera, Ó Paz, D Sánchez-Portal, E Artacho Physical Review B 64 (23), 235111, 2001 | 1301 | 2001 |
Ab initio structural, elastic, and vibrational properties of carbon nanotubes D Sánchez-Portal, E Artacho, JM Soler, A Rubio, P Ordejón Physical Review B 59 (19), 12678, 1999 | 1249 | 1999 |
The SIESTA method; developments and applicability E Artacho, E Anglada, O Diéguez, JD Gale, A García, J Junquera, ... Journal of Physics: Condensed Matter 20 (6), 064208, 2008 | 779 | 2008 |
Projection of plane-wave calculations into atomic orbitals D Sanchez-Portal, E Artacho, JM Soler Solid State Communications 95 (10), 685-690, 1995 | 555 | 1995 |
Lowest energy structures of gold nanoclusters IL Garzón, K Michaelian, MR Beltrán, A Posada-Amarillas, P Ordejón, ... Physical review letters 81 (8), 1600, 1998 | 445 | 1998 |
Direct observation of electron dynamics in the attosecond domain A Föhlisch, P Feulner, F Hennies, A Fink, D Menzel, D Sánchez-Portal, ... nature 436 (7049), 373-376, 2005 | 382 | 2005 |
Siesta: Recent developments and applications A García, N Papior, A Akhtar, E Artacho, V Blum, E Bosoni, P Brandimarte, ... The Journal of chemical physics 152 (20), 2020 | 361 | 2020 |
Atomistic near-field nanoplasmonics: reaching atomic-scale resolution in nanooptics M Barbry, P Koval, F Marchesin, R Esteban, AG Borisov, J Aizpurua, ... Nano letters 15 (5), 3410-3419, 2015 | 352 | 2015 |
Electronic excitations in metals and at metal surfaces EV Chulkov, AG Borisov, JP Gauyacq, D Sánchez-Portal, VM Silkin, ... Chemical Reviews 106 (10), 4160-4206, 2006 | 316 | 2006 |
Stiff monatomic gold wires with a spinning zigzag geometry D Sánchez-Portal, E Artacho, J Junquera, P Ordejón, A García, JM Soler Physical review letters 83 (19), 3884, 1999 | 314 | 1999 |
Analysis of atomic orbital basis sets from the projection of plane-wave results D Sánchez-Portal, E Artacho, JM Soler Journal of Physics: Condensed Matter 8 (21), 3859, 1996 | 304 | 1996 |
First-principles study of substitutional metal impurities in graphene: structural, electronic and magnetic properties EJG Santos, A Ayuela, D Sánchez-Portal New Journal of Physics 12 (5), 053012, 2010 | 296 | 2010 |
Ab initio calculations of the optical properties of 4-Å-diameter single-walled nanotubes M Machón, S Reich, C Thomsen, D Sánchez-Portal, P Ordejón Physical Review B 66 (15), 155410, 2002 | 273 | 2002 |
Magnetism of substitutional Co impurities in graphene: Realization of single vacancies EJG Santos, D Sánchez-Portal, A Ayuela Physical Review B—Condensed Matter and Materials Physics 81 (12), 125433, 2010 | 239 | 2010 |
Electronic states in a finite carbon nanotube: A one-dimensional quantum box A Rubio, D Sánchez-Portal, E Artacho, P Ordejón, JM Soler Physical review letters 82 (17), 3520, 1999 | 239 | 1999 |
Metallic bonding and cluster structure JM Soler, MR Beltrán, K Michaelian, IL Garzón, P Ordejón, ... Physical Review B 61 (8), 5771, 2000 | 218 | 2000 |
Electronic stopping power in LiF from first principles JM Pruneda, D Sánchez-Portal, A Arnau, JI Juaristi, E Artacho Physical review letters 99 (23), 235501, 2007 | 217 | 2007 |