| DOI | Trouver le DOI : https://doi.org/10.1103/PhysRevA.85.033426 |
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| Auteur | Rechercher : Spanner, M.1; Rechercher : Mikosch, J.1; Rechercher : Boguslavskiy, A. E.1; Rechercher : Murnane, M. M.; Rechercher : Stolow, A.1; Rechercher : Patchkovskii, S.1 |
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| Affiliation | - Conseil national de recherches du Canada. Institut Steacie des sciences moléculaires du CNRC
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| Format | Texte, Article |
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| Sujet | bound state; coincidence measurement; computational results; grid-based approach; interchannel coupling; ionic state; multi-electron; polyatomic molecular dynamics; polyatomic molecules; radiating dipole; single electron; single state; single-molecule; strong field ionization; time-dependent; vibrational amplitudes; harmonic generation; ionization; molecular dynamics |
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| Résumé | We present state-of-the-art ab initio-type computations of strong-field ionization (SFI) and the single-molecule response contribution to high-order-harmonic generation (HHG) in the polyatomic molecule N 2O 4. The numerical method uses a mixed orbital- and grid-based approach to model the multielectron bound states and single-electron continuum. The effects of ionic-core attraction and Coulomb-mediated interchannel coupling are rigorously included. We show that full-dimensionality time-dependent multielectron computations of SFI and HHG in polyatomic molecules are now feasible. The computational results indicate that (a) SFI yields in N 2O 4 are dominated by a single ionic state (the A g state), and are strongly modulated by the N-N stretch coordinate; and (b) the HHG radiating dipole as a function of the N 2O 4 N-N stretch is dominated by the same, single state. The molecular-beam coincidence measurements presented here support the computational results. Due to the differences in the estimated vibrational amplitude, however, the computations are not in full agreement with previous HHG data. ©2012 American Physical Society. |
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| Date de publication | 2012 |
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| Maison d’édition | American Physical Society |
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| Dans | |
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| Langue | anglais |
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| Publications évaluées par des pairs | Oui |
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| Numéro NPARC | 21269190 |
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| Exporter la notice | Exporter en format RIS |
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| Signaler une correction | Signaler une correction (s'ouvre dans un nouvel onglet) |
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| Identificateur de l’enregistrement | 3d216298-0e8a-49a8-8090-2d29cbaff483 |
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| Enregistrement créé | 2013-12-12 |
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| Enregistrement modifié | 2020-04-21 |
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