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
13755 2002 Self-consistent order- P Ordejón, E Artacho, JM Soler
Physical review B 53 (16), R10441, 1996
2993 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
1951 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
1313 1999 Numerical atomic orbitals for linear-scaling calculations J Junquera, Ó Paz, D Sánchez-Portal, E Artacho
Physical Review B 64 (23), 235111, 2001
1279 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
1244 1999 Absence of dc-Conductivity in PJ De Pablo, F Moreno-Herrero, J Colchero, JG Herrero, P Herrero, ...
Physical review letters 85 (23), 4992, 2000
761 2000 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
752 2008 Projection of plane-wave calculations into atomic orbitals D Sanchez-Portal, E Artacho, JM Soler
Solid State Communications 95 (10), 685-690, 1995
542 1995 Transformation of spin information into large electrical signals using carbon nanotubes LE Hueso, JM Pruneda, V Ferrari, G Burnell, JP Valdes-Herrera, ...
Nature 445 (7126), 410-413, 2007
445 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
443 1998 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
351 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
339 2002 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 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
311 2011 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
306 2020 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
301 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
236 1999 Metallic bonding and cluster structure JM Soler, MR Beltrán, K Michaelian, IL Garzón, P Ordejón, ...
Physical Review B 61 (8), 5771, 2000
216 2000 Network equilibration and first-principles liquid water MV Fernández-Serra, E Artacho
The Journal of Chemical Physics 121, 11136, 2004
202 2004 