Title: octopus: a tool for the application of time-dependent density functional theory Author(s): CASTRO, A; APPEL, H; OLIVEIRA, M; et al. Source: PHYSICA STATUS SOLIDI B-BASIC SOLID STATE PHYSICS Volume: 243 Issue: 11 Pages: 2465-2488 Published: SEP 2006 Times Cited: 87 DOI: 10.1002/pssb.200642067
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Title: Time-dependent density functional theory scheme for efficient calculations of dynamic (hyper)polarizabilities Author(s): ANDRADE, X; BOTTI, S; MARQUES, MAL; et al. Source: JOURNAL OF CHEMICAL PHYSICS Volume: 126 Issue: 18 Published: MAY 14 2007 Times Cited: 17 DOI: 10.1063/1.2733666
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Title: Theoretical investigation of free-standing CoPd nanoclusters as a function of cluster size and stoichiometry in the Pd-rich phase: Geometry, chemical order, magnetism, and metallic behavior Author(s): AGUILERA-GRANJA, F; VEGA, A; ROGAN, J; et al. Source: PHYSICAL REVIEW B Volume: 74 Issue: 22 Published: DEC 2006 Times Cited: 9 DOI: 10.1103/PhysRevB.74.224405
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Title: Optical and magnetic properties of boron fullerenes Author(s): BOTTI, S; CASTRO, A; LATHIOTAKIS, NN; et al. Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 22 Pages: 4523-4527 Published: 2009 Times Cited: 6 DOI: 10.1039/b902278c
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Title: Cluster-surface and cluster-cluster interactions: Ab initio calculations and modeling of asymptotic van der Waals forces Author(s): BOTTI, S; CASTRO, A; ANDRADE, X; et al. Source: PHYSICAL REVIEW B Volume: 78 Issue: 3 Published: 2008 Times Cited: 4 DOI: 10.1103/PhysRevB.78.035333
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Title: Efficient formalism for large-scale ab initio molecular dynamics based on time-dependent density functional theory Author(s): ALONSO, JL; ANDRADE, X; ECHENIQUE, P; et al. Source: PHYSICAL REVIEW LETTERS Volume: 101 Issue: 9 Published: 2008 Times Cited: 4 DOI: 10.1103/PhysRevLett.101.096403
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Title: Towards a gauge invariant method for molecular chiroptical properties in TDDFT Author(s): VARSANO, D; ESPINOSA-LEAL, LA; ANDRADE, X; et al. Source: PHYSICAL CHEMISTRY CHEMICAL PHYSICS Volume: 11 Issue: 22 Pages: 4481-4489 Published: 2009 Times Cited: 3 DOI: 10.1039/b903200b
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Title: The structure and properties of small Pd clusters Author(s): ROGAN, J; GARCIA, G; RAMIREZ, M; et al. Source: NANOTECHNOLOGY Volume: 19 Issue: 20 Published: 2008 Times Cited: 2 DOI: 10.1088/1957-4484/19/20/205701
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Title: Modified Ehrenfest Formalism for Efficient Large-Scale ab initio Molecular Dynamics Author(s): ANDRADE, X; CASTRO, A; ZUECO, D; et al. Source: JOURNAL OF CHEMICAL THEORY AND COMPUTATION Volume: 5 Issue: 4 Pages: 728-742 Published: 2009 Times Cited: 1 DOI: 10.1021/ct800518j
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Title: Basis set effects on the hyperpolarizability of CHCl3: Gaussian-type orbitals, numerical basis sets and real-space grids Author(s): Vila, FD; Strubbe, DA; Takimoto, Y; et al. Source: Journal of Chemical Physics Volume: 133 Issue: 3 Published: 2010 Times Cited: 0 DOI: 10.1063/1.3457362
