The SIESTA Method for Ab Initio Order-N Materials Simulation JM Soler, E Artacho, JD Gale, A Garcia, J Junquera, P Ordejon, ... J. Phys.: Condens. Matter 14, 2745-2779, 2002 | 14395* | 2002 |
Self-consistent order- density-functional calculations for very large systems P Ordejón, E Artacho, JM Soler Physical review B 53 (16), R10441, 1996 | 3062 | 1996 |
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 | 1976 | 1997 |
Linear-Scaling ab-initio Calculations for Large and Complex Systems E Artacho, D Sánchez-Portal, P Ordejón, A García, JM Soler Phys. Status Solidi B 215, 809, 1999 | 1343 | 1999 |
Numerical atomic orbitals for linear-scaling calculations J Junquera, Ó Paz, D Sánchez-Portal, E Artacho Physical Review B 64 (23), 235111, 2001 | 1313 | 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 | 1256 | 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 | 794 | 2008 |
Absence of dc-Conductivity in -DNA PJ De Pablo, F Moreno-Herrero, J Colchero, JG Herrero, P Herrero, ... Physical review letters 85 (23), 4992, 2000 | 756 | 2000 |
Projection of plane-wave calculations into atomic orbitals D Sanchez-Portal, E Artacho, JM Soler Solid State Communications 95 (10), 685-690, 1995 | 564 | 1995 |
Transformation of spin information into large electrical signals using carbon nanotubes LE Hueso, JM Pruneda, V Ferrari, G Burnell, JP Valdés-Herrera, ... Nature 445 (7126), 410-413, 2007 | 453 | 2007 |
Lowest energy structures of gold nanoclusters IL Garzón, K Michaelian, MR Beltrán, A Posada-Amarillas, P Ordejón, ... Physical review letters 81 (8), 1600, 1998 | 449 | 1998 |
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 | 393 | 2020 |
Systematic generation of finite-range atomic basis sets for linear-scaling calculations E Anglada, JM Soler, J Junquera, E Artacho Physical Review B 66 (20), 205101, 2002 | 360 | 2002 |
Structure and stability of aluminum hydroxides: a theoretical study M Digne, P Sautet, P Raybaud, H Toulhoat, E Artacho The Journal of Physical Chemistry B 106 (20), 5155-5162, 2002 | 352 | 2002 |
Density, structure, and dynamics of water: The effect of van der Waals interactions J Wang, G Román-Pérez, JM Soler, E Artacho, MV Fernández-Serra The Journal of chemical physics 134 (2), 2011 | 322 | 2011 |
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 | 316 | 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 | 305 | 1996 |
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 |
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 | 222 | 2007 |
Metallic bonding and cluster structure JM Soler, MR Beltrán, K Michaelian, IL Garzón, P Ordejón, ... Physical Review B 61 (8), 5771, 2000 | 218 | 2000 |