P
Pablo Ordejón
Researcher at Spanish National Research Council
Publications - 255
Citations - 33956
Pablo Ordejón is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Density functional theory & Electronic structure. The author has an hindex of 62, co-authored 243 publications receiving 30447 citations. Previous affiliations of Pablo Ordejón include Claude Bernard University Lyon 1 & University of Oviedo.
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The SIESTA method for ab initio order-N materials simulation
José M. Soler,Emilio Artacho,Julian D. Gale,Alberto García,Javier Junquera,Javier Junquera,Pablo Ordejón,Daniel Sánchez-Portal +7 more
TL;DR: In this paper, a selfconsistent density functional method using standard norm-conserving pseudopotentials and a flexible, numerical linear combination of atomic orbitals basis set, which includes multiple-zeta and polarization orbitals, was developed and implemented.
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Density-functional method for nonequilibrium electron transport
TL;DR: In this paper, an ab initio method for calculating the electronic structure, electronic transport, and forces acting on the atoms, for atomic scale systems connected to semi-infinite electrodes and with an applied voltage bias.
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Self-consistent order- N density-functional calculations for very large systems
TL;DR: A method to perform fully self-consistent density-functional calculations that scales linearly with the system size and which is well suited for very large systems is presented, using strictly localized pseudoatomic orbitals as basis functions.
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Density-functional method for very large systems with LCAO basis sets
TL;DR: In this article, a linear scaling, fully self-consistent density-functional method for performing first-principles calculations on systems with a large number of atoms, using standard norm-conserving pseudopotentials and flexible linear combinations of atomic orbitals (LCAO) basis sets, was implemented.
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Tight-binding description of graphene
TL;DR: In this article, the authors investigated the tight-binding approximation for the dispersion of the electronic bands in graphene and carbon nanotubes, and derived an analytic expression for the tightbinding dispersion including up to third-nearest neighbors.