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dc.contributor.author | Blanes Zamora, Sergio | es_ES |
dc.contributor.author | Gradinaru, Vasile | es_ES |
dc.date.accessioned | 2021-03-12T04:31:16Z | |
dc.date.available | 2021-03-12T04:31:16Z | |
dc.date.issued | 2020-03-15 | es_ES |
dc.identifier.issn | 0021-9991 | es_ES |
dc.identifier.uri | http://hdl.handle.net/10251/163757 | |
dc.description.abstract | [EN] Standard numerical schemes with time-step h deteriorate (e.g. like epsilon(-2)h(2)) in the presence of a small semiclassical parameters in the time-dependent Schrodinger equation. The recently introduced semiclassical splitting was shown to be of order O (epsilon h(2)). We present now an algorithm that is of order O (epsilon h(7)+epsilon(2)h(6)+epsilon(3)h(4)) at the expense of roughly three times the computational effort of the semiclassical splitting and another that is of order O (epsilon h(6)+epsilon(2)h(4)) at the same expense of the computational effort of the semiclassical splitting. | es_ES |
dc.description.sponsorship | The work of SB has been funded by Ministerio de Economia, Industria y Competitividad (Spain) through project MTM2016-77660-P (AEI/FEDER, UE). | es_ES |
dc.language | Inglés | es_ES |
dc.publisher | Elsevier | es_ES |
dc.relation.ispartof | Journal of Computational Physics | es_ES |
dc.rights | Reconocimiento - No comercial - Sin obra derivada (by-nc-nd) | es_ES |
dc.subject | Semiclassical | es_ES |
dc.subject | Time-dependent Schrodinger equation | es_ES |
dc.subject | Splitting | es_ES |
dc.subject | Wavepackets | es_ES |
dc.subject.classification | MATEMATICA APLICADA | es_ES |
dc.title | High order efficient splittings for the semiclassical time-dependent Schrodinger equation | es_ES |
dc.type | Artículo | es_ES |
dc.identifier.doi | 10.1016/j.jcp.2019.109157 | 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.; Gradinaru, V. (2020). High order efficient splittings for the semiclassical time-dependent Schrodinger equation. Journal of Computational Physics. 405:1-13. https://doi.org/10.1016/j.jcp.2019.109157 | es_ES |
dc.description.accrualMethod | S | es_ES |
dc.relation.publisherversion | https://doi.org/10.1016/j.jcp.2019.109157 | es_ES |
dc.description.upvformatpinicio | 1 | es_ES |
dc.description.upvformatpfin | 13 | es_ES |
dc.type.version | info:eu-repo/semantics/publishedVersion | es_ES |
dc.description.volume | 405 | es_ES |
dc.relation.pasarela | S\428760 | 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 |
dc.description.references | Bao, W., Jin, S., & Markowich, P. A. (2002). On Time-Splitting Spectral Approximations for the Schrödinger Equation in the Semiclassical Regime. Journal of Computational Physics, 175(2), 487-524. doi:10.1006/jcph.2001.6956 | es_ES |
dc.description.references | Balakrishnan, N., Kalyanaraman, C., & Sathyamurthy, N. (1997). Time-dependent quantum mechanical approach to reactive scattering and related processes. Physics Reports, 280(2), 79-144. doi:10.1016/s0370-1573(96)00025-7 | es_ES |
dc.description.references | Descombes, S., & Thalhammer, M. (2010). An exact local error representation of exponential operator splitting methods for evolutionary problems and applications to linear Schrödinger equations in the semi-classical regime. BIT Numerical Mathematics, 50(4), 729-749. doi:10.1007/s10543-010-0282-4 | es_ES |
dc.description.references | Bader, P., Iserles, A., Kropielnicka, K., & Singh, P. (2014). Effective Approximation for the Semiclassical Schrödinger Equation. Foundations of Computational Mathematics, 14(4), 689-720. doi:10.1007/s10208-013-9182-8 | es_ES |
dc.description.references | Gradinaru, V., & Hagedorn, G. A. (2013). Convergence of a semiclassical wavepacket based time-splitting for the Schrödinger equation. Numerische Mathematik, 126(1), 53-73. doi:10.1007/s00211-013-0560-6 | es_ES |
dc.description.references | Keller, J., & Lasser, C. (2013). Propagation of Quantum Expectations with Husimi Functions. SIAM Journal on Applied Mathematics, 73(4), 1557-1581. doi:10.1137/120889186 | es_ES |
dc.description.references | Gradinaru, V., Hagedorn, G. A., & Joye, A. (2010). Tunneling dynamics and spawning with adaptive semiclassical wave packets. The Journal of Chemical Physics, 132(18), 184108. doi:10.1063/1.3429607 | es_ES |
dc.description.references | Gradinaru, V., Hagedorn, G. A., & Joye, A. (2010). Exponentially accurate semiclassical tunneling wavefunctions in one dimension. Journal of Physics A: Mathematical and Theoretical, 43(47), 474026. doi:10.1088/1751-8113/43/47/474026 | es_ES |
dc.description.references | Coronado, E. A., Batista, V. S., & Miller, W. H. (2000). Nonadiabatic photodissociation dynamics ofICNin the à continuum: A semiclassical initial value representation study. The Journal of Chemical Physics, 112(13), 5566-5575. doi:10.1063/1.481130 | es_ES |
dc.description.references | Church, M. S., Hele, T. J. H., Ezra, G. S., & Ananth, N. (2018). Nonadiabatic semiclassical dynamics in the mixed quantum-classical initial value representation. The Journal of Chemical Physics, 148(10), 102326. doi:10.1063/1.5005557 | es_ES |
dc.description.references | Hagedorn, G. A. (1998). Raising and Lowering Operators for Semiclassical Wave Packets. Annals of Physics, 269(1), 77-104. doi:10.1006/aphy.1998.5843 | es_ES |
dc.description.references | Faou, E., Gradinaru, V., & Lubich, C. (2009). Computing Semiclassical Quantum Dynamics with Hagedorn Wavepackets. SIAM Journal on Scientific Computing, 31(4), 3027-3041. doi:10.1137/080729724 | es_ES |
dc.description.references | McLachlan, R. I. (1995). Composition methods in the presence of small parameters. BIT Numerical Mathematics, 35(2), 258-268. doi:10.1007/bf01737165 | es_ES |
dc.description.references | Blanes, S., Casas, F., & Ros, J. (1999). Symplectic Integration with Processing: A General Study. SIAM Journal on Scientific Computing, 21(2), 711-727. doi:10.1137/s1064827598332497 | es_ES |
dc.description.references | Blanes, S., Casas, F., & Ros, J. (2000). Celestial Mechanics and Dynamical Astronomy, 77(1), 17-36. doi:10.1023/a:1008311025472 | es_ES |
dc.description.references | Blanes, S., Diele, F., Marangi, C., & Ragni, S. (2010). Splitting and composition methods for explicit time dependence in separable dynamical systems. Journal of Computational and Applied Mathematics, 235(3), 646-659. doi:10.1016/j.cam.2010.06.018 | es_ES |
dc.description.references | Stefanov, B., Iordanov, O., & Zarkova, L. (1982). Interaction potential in1Σg+Hg2: fit to the experimental data. Journal of Physics B: Atomic and Molecular Physics, 15(2), 239-247. doi:10.1088/0022-3700/15/2/010 | es_ES |