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Symplectic time-average propagators for the Schrodinger equation with a time-dependent Hamiltonian

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Symplectic time-average propagators for the Schrodinger equation with a time-dependent Hamiltonian

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dc.contributor.author Blanes Zamora, Sergio es_ES
dc.contributor.author Casas, Fernando es_ES
dc.contributor.author Murua, Ander es_ES
dc.date.accessioned 2020-07-30T03:34:46Z
dc.date.available 2020-07-30T03:34:46Z
dc.date.issued 2017-03-21 es_ES
dc.identifier.issn 0021-9606 es_ES
dc.identifier.uri http://hdl.handle.net/10251/148881
dc.description.abstract [EN] Several symplectic splitting methods of orders four and six are presented for the step-by-step time numerical integration of the Schrodinger equation when the Hamiltonian is a general explicitly time-dependent real operator. They involve linear combinations of the Hamiltonian evaluated at some intermediate points. We provide the algorithm and the coefficients of the methods, as well as some numerical examples showing their superior performance with respect to other available schemes. Published by AIP Publishing. es_ES
dc.description.sponsorship The authors acknowledge Ministerio de Economia y Competitividad (Spain) for financial support through Project Nos. MTM2013-46553-C3 and MTM2016-77660-P (AEI/FEDER, UE). Additionally, A.M. has been partially supported by the Basque Government (Consolidated Research Group No. IT649-13). es_ES
dc.language Inglés es_ES
dc.publisher American Institute of Physics es_ES
dc.relation.ispartof The Journal of Chemical Physics es_ES
dc.rights Reserva de todos los derechos es_ES
dc.subject Wave-Packet dynamics es_ES
dc.subject Splitting methods es_ES
dc.subject Runge-Kutta es_ES
dc.subject Quantum es_ES
dc.subject Convergence es_ES
dc.subject Integrators es_ES
dc.subject.classification MATEMATICA APLICADA es_ES
dc.title Symplectic time-average propagators for the Schrodinger equation with a time-dependent Hamiltonian es_ES
dc.type Artículo es_ES
dc.identifier.doi 10.1063/1.4978410 es_ES
dc.relation.projectID info:eu-repo/grantAgreement/Eusko Jaurlaritza//IT649-13/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MTM2013-46553-C3-2-P/ES/ASPECTOS ALGEBRAICOS Y COMPUTACIONALES EN INTEGRACION GEOMETRICA/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MTM2013-46553-C3-3-P/ES/METODOS DE ESCISION Y COMPOSICION EN INTEGRACION NUMERICA GEOMETRICA. TEORIA Y APLICACIONES/ es_ES
dc.relation.projectID info:eu-repo/grantAgreement/MINECO//MTM2016-77660-P/ES/NUEVOS RETOS EN INTEGRACION NUMERICA: FUNDAMENTOS ALGEBRAICOS, METODOS DE ESCISION, METODOS DE MONTECARLO Y OTRAS APLICACIONES/ es_ES
dc.rights.accessRights Abierto es_ES
dc.contributor.affiliation Universitat Politècnica de València. Departamento de Matemática Aplicada - Departament de Matemàtica Aplicada es_ES
dc.description.bibliographicCitation Blanes Zamora, S.; Casas, F.; Murua, A. (2017). Symplectic time-average propagators for the Schrodinger equation with a time-dependent Hamiltonian. The Journal of Chemical Physics. 146(11):1-10. https://doi.org/10.1063/1.4978410 es_ES
dc.description.accrualMethod S es_ES
dc.relation.publisherversion https://doi.org/10.1063/1.4978410 es_ES
dc.description.upvformatpinicio 1 es_ES
dc.description.upvformatpfin 10 es_ES
dc.type.version info:eu-repo/semantics/publishedVersion es_ES
dc.description.volume 146 es_ES
dc.description.issue 11 es_ES
dc.identifier.pmid 28330361 es_ES
dc.relation.pasarela S\354426 es_ES
dc.contributor.funder Gobierno Vasco/Eusko Jaurlaritza es_ES
dc.contributor.funder Agencia Estatal de Investigación es_ES
dc.contributor.funder European Regional Development Fund es_ES
dc.contributor.funder Ministerio de Economía y Competitividad es_ES
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