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Browsing by Author Castro, Alberto

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RightsPreviewIssue DateTitleAuthor(s)Type
closedAccessaccesoRestringido.pdf.jpg2010Ab initio modelling of the excited state dynamics of clusters and nanostructures with time-dependent density-functional theory: linear and nonlinear regimesAlonso, J. A. ; Castro, Alberto; Rubio, AngelCapítulo de libro
openAccessAb initio molecular.pdf.jpg2010Ab initio molecular dynamics on the electronic Boltzmann equilibrium distributionAlonso, José Luis; Castro, Alberto; Echenique, Pablo ; Polo, Víctor; Rubio, Angel; Zueco, DavidArtículo
closedAccessaccesoRestringido.pdf.jpgNov-2004Calculation of the optical spectrum of the Ti8C12 and V8C12 Met-CarsMartínez, José I. ; Castro, Alberto; Rubio, Angel; Poblet, J. M.; Alonso, J. A. Artículo
openAccessCan optical spectroscopy.pdf.jpg2002Can optical spectroscopy directly elucidate the ground state of C 20?Castro, Alberto; Marques, Miguel A. L.; Alonso, J. A. ; Bertsch, George F.; Yabana, K.; Rubio, AngelArtículo
openAccessCluster_Surface.pdf.jpg29-Jul-2008Cluster-surface and cluster-cluster interactions: ab initio calculations and modelling of Van der Waals forcesBotti, Silvana; Castro, Alberto; Andrade, Xavier; Rubio, Angel; Marques, Miguel A. L.Artículo
openAccessCoherent quantumswitch.pdf.jpg11-Oct-2007Coherent quantum switch driven by optimized laser pulsesRäsänen, E.; Castro, Alberto; Werschnik, J.; Rubio, Angel; Gross, E. K. U.Artículo
openAccessenhancingcontrolling.pdf.jpg2015Enhancing and controlling single-atom high-harmonic generation spectra: a time-dependent density-functional schemeCastro, Alberto; Rubio, Angel; Gross, E. K. U.Artículo
openAccess2004Excited states dynamics in time-dependent density functional theory: High-field molecular dissociation and harmonic generationCastro, Alberto; Marques, Miguel A. L.; Alonso, J. A. ; Bertsch, George F.; Rubio, AngelArtículo
openAccessFemtosecond.pdf.jpg2009Femtosecond laser pulse shaping for enhanced ionizationCastro, Alberto; Räsänen, E.; Rubio, Angel; Gross, E. K. U.Artículo
openAccessModified Ehrenfest.pdf.jpg2009Modified Ehrenfest formalism for efficient large-scale ab initio molecular dynamicsAndrade, Xavier; Castro, Alberto; Zueco, David; Alonso, J. A. ; Echenique, Pablo ; Falceto, Fernando; Rubio, AngelArtículo
openAccessNon-adiabatic effects within.pdf.jpg31-Aug-2012Non-adiabatic effects within a single thermally averaged potential energy surface: Thermal expansion and reaction rates of small moleculesAlonso, José Luis; Castro, Alberto; Clemente-Gallardo, Jesús; Echenique, Pablo ; Mazo, J. J.; Polo, Víctor; Rubio, Angel; Zueco, DavidArtículo
openAccessPhysRevE.91.022137-1.pdf.jpg2015Nonextensive thermodynamic functions in the Schrödinger-Gibbs ensembleAlonso, José Luis; Castro, Alberto; Clemente-Gallardo, Jesús; Cuchí, Juan Carlos; Echenique, Pablo ; Esteve, J.G.; Falceto, F.Artículo
openAccessoctopus a first principles.pdf.jpgMar-2003octopus: a first-principles tool for excited electron–ion dynamicsMarques, Miguel A. L.; Castro, Alberto; Bertsch, George F.; Rubio, AngelArtículo
openAccessoctopus a tool for.pdf.jpgSep-2006octopus: a tool for the application of time-dependent density functional theoryCastro, Alberto; Appel, H.; Oliveira, Micael J. T.; Rozzi, Carlo Andrea; Andrade, Xavier; Lorenzen, Florian; Marques, Miguel A. L.; Gross, E. K. U.; Rubio, AngelArtículo
openAccess2012_TDDFTandMD.pdf.jpg2012On the combination of TDDFT with molecular dynamics: New developmentsAlonso, José Luis; Castro, Alberto; Echenique, Pablo ; Rubio, AngelCapítulo de libro
closedAccessaccesoRestringido.pdf.jpgJul-2008On the use of Neumann's principle for the calculation of the polarizability tensor of nanostructuresOliveira, Micael J. T.; Castro, Alberto; Marques, Miguel A. L.; Rubio, AngelArtículo
closedAccessaccesoRestringido.pdf.jpg2005Optical absorption of the blue fluorescent protein: A first-principles studyLópez, Xabier; Marques, Miguel A. L.; Castro, Alberto; Rubio, AngelArtículo
closedAccessaccesoRestringido.pdf.jpg2006Optical absorption spectra of V+4 isomers: One example of first-principles theoretical spectroscopy with time-dependent density functional theoryMartínez, José I. ; Castro, Alberto; Rubio, Angel; Alonso, J. A. Artículo
closedAccessaccesoRestringido.pdf.jpg2009Optical and magnetic properties of boron fullerenesBotti, Silvana; Castro, Alberto; Lathiotakis, N. N.; Andrade, Xavier; Marques, Miguel A. L.Artículo
openAccessOptical Properties of Nanostructures.pdf.jpgSep-2004Optical properties of nanostructures from time-dependent density functional theoryCastro, Alberto; Marques, Miguel A. L.; Alonso, J. A. ; Rubio, AngelArtículo