P. Ordejon
P. Ordejon
ICN2 - Institut Català de Nanociència i Nanotecnologia
E-mailová adresa ověřena na:
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
Density-functional method for nonequilibrium electron transport
M Brandbyge, JL Mozos, P Ordejón, J Taylor, K Stokbro
Physical Review B 65 (16), 165401, 2002
Self-consistent order- density-functional calculations for very large systems
P Ordejón, E Artacho, JM Soler
Physical review B 53 (16), R10441, 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
Tight-binding description of graphene
S Reich, J Maultzsch, C Thomsen, P Ordejon
Physical Review B 66 (3), 035412, 2002
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
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
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
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
Phonon dispersion in graphite
J Maultzsch, S Reich, C Thomsen, H Requardt, P Ordejón
Physical review letters 92 (7), 075501, 2004
Theoretical study of the nonlinear conductance of Di-thiol benzene coupled to Au (1 1 1) surfaces via thiol and thiolate bonds
K Stokbro, J Taylor, M Brandbyge, JL Mozos, P Ordejon
Computational Materials Science 27 (1-2), 151-160, 2003
Electronic band structure of isolated and bundled carbon nanotubes
S Reich, C Thomsen, P Ordejón
Physical Review B 65 (15), 155411, 2002
Designed self‐doped titanium oxide thin films for efficient visible‐light photocatalysis
I Justicia, P Ordejón, G Canto, JL Mozos, J Fraxedas, GA Battiston, ...
Advanced materials 14 (19), 1399-1402, 2002
Stability and mobility of mono-and di-interstitials in α-Fe
CC Fu, F Willaime, P Ordejón
Physical review letters 92 (17), 175503, 2004
Tight-binding model and direct-gap/indirect-gap transition in single-layer and multilayer MoS
E Cappelluti, R Roldán, JA Silva-Guillén, P Ordejón, F Guinea
Physical Review B—Condensed Matter and Materials Physics 88 (7), 075409, 2013
Unconstrained minimization approach for electronic computations that scales linearly with system size
P Ordejón, DA Drabold, MP Grumbach, RM Martin
Physical Review B 48 (19), 14646, 1993
Lowest energy structures of gold nanoclusters
IL Garzón, K Michaelian, MR Beltrán, A Posada-Amarillas, P Ordejón, ...
Physical review letters 81 (8), 1600, 1998
First-principles study of the origin and nature of ferromagnetism in
S Sanvito, P Ordejon, NA Hill
Physical Review B 63 (16), 165206, 2001
Linear system-size scaling methods for electronic-structure calculations
P Ordejón, DA Drabold, RM Martin, MP Grumbach
Physical Review B 51 (3), 1456, 1995
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
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Články 1–20