dc.contributor.author | Khosravi, Elham | |
dc.contributor.author | Abedi Khaledi, Ali | |
dc.contributor.author | Rubio Secades, Angel | |
dc.contributor.author | Maitra, Neepa T. | |
dc.date.accessioned | 2018-04-19T13:48:29Z | |
dc.date.available | 2018-04-19T13:48:29Z | |
dc.date.issued | 2017-03-28 | |
dc.identifier.citation | Physical Chemistry Chemical Physics 19(12) : 8269-8281 (2017) | es_ES |
dc.identifier.issn | 1463-9076 | |
dc.identifier.issn | 1463-9084 | |
dc.identifier.uri | http://hdl.handle.net/10810/26496 | |
dc.description.abstract | It was recently shown that the exact potential driving the electron's dynamics in enhanced ionization of H-2(+) can have large contributions arising from dynamic electron-nuclear correlation, going beyond what any Coulombic-based model can provide. This potential is defined via the exact factorization of the molecular wavefunction that allows the construction of a Schro "dinger equation for the electronic system, in which the potential contains exactly the effect of coupling to the nuclear system and any external fields. Here we study enhanced ionization in isotopologues of H-2(+) in order to investigate the nuclear-mass-dependence of these terms for this process. We decompose the exact potential into components that naturally arise from the conditional wavefunction, and also into components arising from the marginal electronic wavefunction, and compare the performance of propagation on these different components as well as approximate potentials based on the quasi-static or Hartree approximation with the exact propagation. A quasiclassical analysis is presented to help analyse the structure of different non-Coulombic components of the potential driving the ionizing electron. | es_ES |
dc.description.sponsorship | We acknowledge support from the European Research Council (ERC-2015-AdG-694097), Grupos Consolidados (IT578-13), and the European Union's Horizon 2020 Research and Innovation programme under grant agreement no. 676580. A. K. and A. A. acknowledge funding from the European Union's Horizon 2020 research and innovation programme under the Marie SklodowskaCurie grant agreement no. 704218 and 702406, respectively. N. T. M. thanks the National Science Foundation, grant CHE1566197, for support. Open Access funding provided by the Max Planck Society. | es_ES |
dc.language.iso | eng | es_ES |
dc.publisher | Royal Society of Chemistry | es_ES |
dc.relation | info:eu-repo/grantAgreement/EC/H2020/676580 | es_ES |
dc.rights | info:eu-repo/semantics/openAccess | es_ES |
dc.rights.uri | http://creativecommons.org/licenses/by/3.0/es/ | * |
dc.subject | intense laser fields | es_ES |
dc.subject | quantum-classical dynamics | es_ES |
dc.subject | dissociative ionization | es_ES |
dc.subject | harmonic-generation | es_ES |
dc.subject | H-2(+) | es_ES |
dc.subject | model | es_ES |
dc.subject | localization | es_ES |
dc.subject | pulses | es_ES |
dc.title | Electronic non-adiabatic dynamics in enhanced ionization of isotopologues of hydrogen molecular ions from the exact factorization perspective | es_ES |
dc.type | info:eu-repo/semantics/article | es_ES |
dc.rights.holder | This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. | es_ES |
dc.rights.holder | Atribución 3.0 España | * |
dc.relation.publisherversion | http://pubs.rsc.org/en/Content/ArticleLanding/2017/CP/C6CP08539C#!divAbstract | es_ES |
dc.identifier.doi | 10.1039/c6cp08539c | |
dc.contributor.funder | European Commission | |
dc.departamentoes | Física de materiales | es_ES |
dc.departamentoeu | Materialen fisika | es_ES |