José María
Soler Torroja
Publications by the researcher in collaboration with José María Soler Torroja (29)
2020
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Siesta: Recent developments and applications
The Journal of chemical physics, Vol. 152, Núm. 20, pp. 204108
2008
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The SIESTA method; Developments and applicability
Journal of Physics Condensed Matter, Vol. 20, Núm. 6
2004
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Simulations of minerals using density-functional theory based on atomic orbitals for linear scaling
Physics and Chemistry of Minerals, Vol. 31, Núm. 1, pp. 12-21
2003
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Electrons in dry DNA from density functional calculations
Molecular Physics, Vol. 101, Núm. 11, pp. 1587-1594
2002
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The SIESTA method for ab initio order-N materials simulation
Journal of Physics Condensed Matter, Vol. 14, Núm. 11, pp. 2745-2779
2001
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First principles study of the adsorption of C60 on Si(1 1 1)
Surface Science
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Interplay between theory and experiment in solid state inorganic chemistry
Journal of Materials Chemistry, Vol. 11, Núm. 1, pp. 1-10
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Linear scaling DFT calculations with numerical atomic orbitals
Materials Research Society Symposium - Proceedings, Vol. 677, pp. AA9.6.1-AA9.6.12
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Linear scaling DFT calculations with numerical atomic orbitals
Materials Research Society Symposium - Proceedings
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Zigzag equilibrium structure in monatomic wires
Surface Science, Vol. 482-485, Núm. PART 2, pp. 1261-1265
2000
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Comment on “identifying molecular orientation of individual C60 on a Si(111)-(7 × 7) surface”
Physical Review Letters, Vol. 85, Núm. 12, pp. 2653
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Do thiols merely passivate gold nanoclusters?
Physical Review Letters, Vol. 85, Núm. 24, pp. 5250-5251
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Metallic bonding and cluster structure
Physical Review B - Condensed Matter and Materials Physics, Vol. 61, Núm. 8, pp. 5771-5780
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Seeing molecular orbitals
Chemical Physics Letters, Vol. 321, Núm. 1-2, pp. 78-82
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The structure and dynamics of crystalline durene by neutron scattering and numerical modelling using density functional methods
Chemical Physics, Vol. 261, Núm. 1-2, pp. 189-203
1999
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Application of local-spin-density approximation to (formula presented) and tetrahedral (formula presented)
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 15, pp. 10594-10597
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Atomic layering at the liquid silicon surface: A first-principles simulation
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 24, pp. R16283-R16286
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Bonding and diffusion of Ba on a Si(001) reconstructed surface
Physical Review B - Condensed Matter and Materials Physics, Vol. 60, Núm. 7, pp. 4968-4971
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Electronic states in a finite carbon nanotube: A one-dimensional quantum box
Physical Review Letters, Vol. 82, Núm. 17, pp. 3520-3523
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Linear-scaling ab-initio calculations for large and complex systems
Physica Status Solidi (B) Basic Research, Vol. 215, Núm. 1, pp. 809-817