000057726 001__ 57726
000057726 005__ 20210121114501.0
000057726 0247_ $$2doi$$a10.1039/c5cp00351b
000057726 0248_ $$2sideral$$a96845
000057726 037__ $$aART-2015-96845
000057726 041__ $$aeng
000057726 100__ $$aAndrade, Xavier
000057726 245__ $$aReal-space grids and the Octopus code as tools for the development of new simulation approaches for electronic systems
000057726 260__ $$c2015
000057726 5060_ $$aAccess copy available to the general public$$fUnrestricted
000057726 5203_ $$aReal-space grids are a powerful alternative for the simulation of electronic systems. One of the main advantages of the approach is the flexibility and simplicity of working directly in real space where the different fields are discretized on a grid, combined with competitive numerical performance and great potential for parallelization. These properties constitute a great advantage at the time of implementing and testing new physical models. Based on our experience with the Octopus code, in this article we discuss how the real-space approach has allowed for the recent development of new ideas for the simulation of electronic systems. Among these applications are approaches to calculate response properties, modeling of photoemission, optimal control of quantum systems, simulation of plasmonic systems, and the exact solution of the Schrodinger equation for low-dimensionality systems.
000057726 536__ $$9info:eu-repo/grantAgreement/ES/MINECO/FIS2013-46159-C3-1-P$$9info:eu-repo/grantAgreement/ES/MINECO/FIS2013-46159-C2-2-P$$9info:eu-repo/grantAgreement/EC/FP7/316633/EU/Polymer - Carbon Nanotubes Active Systems for Photovoltaics/POCAONTAS$$9info:eu-repo/grantAgreement/EC/FP7/280879/EU/Time dynamics and ContROl in naNOStructures for magnetic recording and energy applications/CRONOS$$9info:eu-repo/grantAgreement/EC/FP7/267374/EU/Dynamical processes in open quantum systems: pushing the frontiers of theoretical spectroscopy/DYNAMO
000057726 540__ $$9info:eu-repo/semantics/openAccess$$aby$$uhttp://creativecommons.org/licenses/by/3.0/es/
000057726 590__ $$a4.449$$b2015
000057726 591__ $$aPHYSICS, ATOMIC, MOLECULAR & CHEMICAL$$b6 / 35 = 0.171$$c2015$$dQ1$$eT1
000057726 591__ $$aCHEMISTRY, PHYSICAL$$b32 / 144 = 0.222$$c2015$$dQ1$$eT1
000057726 592__ $$a1.725$$b2015
000057726 593__ $$aPhysics and Astronomy (miscellaneous)$$c2015$$dQ1
000057726 593__ $$aPhysical and Theoretical Chemistry$$c2015$$dQ1
000057726 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/publishedVersion
000057726 700__ $$aStrubbe, David
000057726 700__ $$aDe Giovannini, Umberto
000057726 700__ $$aHjorth Larsen, Ask
000057726 700__ $$aOliveira, Micael J.T.
000057726 700__ $$aAlberdi-Rodriguez, Joseba
000057726 700__ $$aVaras, Alejandro
000057726 700__ $$aTheophilou, Iris
000057726 700__ $$aHelbig, Nicole
000057726 700__ $$aVerstraete, Matthieu J.
000057726 700__ $$aStella, Lorenzo
000057726 700__ $$aNogueira, Fernando
000057726 700__ $$aAspuru-Guzik, Alan
000057726 700__ $$0(orcid)0000-0002-9253-7926$$aCastro, Alberto$$uUniversidad de Zaragoza
000057726 700__ $$aMarques, Miguel A.L.
000057726 700__ $$aRubio, Angel
000057726 7102_ $$12004$$2405$$aUniversidad de Zaragoza$$bDpto. Física Teórica$$cÁrea Física Teórica
000057726 773__ $$g17, 47 (2015), 31371-31396$$pPhys. chem. chem. phys.$$tPHYSICAL CHEMISTRY CHEMICAL PHYSICS$$x1463-9076
000057726 8564_ $$s6521138$$uhttps://zaguan.unizar.es/record/57726/files/texto_completo.pdf$$yVersión publicada
000057726 8564_ $$s112462$$uhttps://zaguan.unizar.es/record/57726/files/texto_completo.jpg?subformat=icon$$xicon$$yVersión publicada
000057726 909CO $$ooai:zaguan.unizar.es:57726$$particulos$$pdriver
000057726 951__ $$a2021-01-21-10:51:17
000057726 980__ $$aARTICLE