Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach
| العنوان: | Ultrafast, correlated multidimensional shell dynamics of neon matrices after photoexcitation of an NO impurity: An MCTDH approach |
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| المؤلفون: | Jesús Rubayo-Soneira, Christoph Meier, L. Uranga-Piña |
| المساهمون: | Facultad de Física, Universidad de La Habana [Cuba], Théorie (LCAR), Laboratoire Collisions Agrégats Réactivité (LCAR), Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Institut National des Sciences Appliquées (INSA)-Institut National des Sciences Appliquées (INSA)-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut National des Sciences Appliquées - Toulouse (INSA Toulouse), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées, Instituto Superior de Tecnologias y Ciencias Aplicadas - InSTEC (CUBA), Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Université Toulouse III - Paul Sabatier (UT3), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS)-Institut de Recherche sur les Systèmes Atomiques et Moléculaires Complexes (IRSAMC), Université Fédérale Toulouse Midi-Pyrénées-Université Fédérale Toulouse Midi-Pyrénées-Centre National de la Recherche Scientifique (CNRS) |
| المصدر: | Chemical Physics Letters Chemical Physics Letters, Elsevier, 2012, 543, pp.12-18. ⟨10.1016/j.cplett.2012.05.032⟩ |
| بيانات النشر: | Elsevier BV, 2012. |
| سنة النشر: | 2012 |
| مصطلحات موضوعية: | Quantum dynamics, STRUCTURAL DYNAMICS, General Physics and Astronomy, chemistry.chemical_element, QUANTUM SOLIDS, 02 engineering and technology, 01 natural sciences, Molecular dynamics, Neon, 0103 physical sciences, Physical and Theoretical Chemistry, Wave function, Quantum, Ansatz, 010304 chemical physics, Chemistry, PHOTODISSOCIATION, Hartree, 021001 nanoscience & nanotechnology, RARE-GAS SOLIDS, SIMULATIONS, ELECTRONIC BUBBLE FORMATION, MODEL, Photoexcitation, SPIN-FLIP, MOLECULAR-DYNAMICS, Atomic physics, 0210 nano-technology, AR |
| الوصف: | International audience; Photoexcitation of NO embedded in rare gas matrices triggers a shock-wave like radial perturbation of the surrounding rare gas atoms. In this Letter, we present quantum dynamical studies of this process, based on a radial shell model. The high-dimensional quantum dynamics is preformed with the multi-configuration time dependent Hartree (MCTDH) method. By comparison with time-dependent Hartree (TDH) results, we study the effects of dynamical correlations. Their inclusion modifies the high-dimensional wavefunction, however, mean values are well described within the TDH ansatz. Finally, pump-probe signals are simulated and shown to lead to small but measurable effects when including the correlations. (C) 2012 Elsevier B.V. All rights reserved |
| تدمد: | 0009-2614 |
| الوصول الحر: | https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a3520202cec190917be8bc3185671372Test https://doi.org/10.1016/j.cplett.2012.05.032Test |
| حقوق: | CLOSED |
| رقم الانضمام: | edsair.doi.dedup.....a3520202cec190917be8bc3185671372 |
| قاعدة البيانات: | OpenAIRE |
| تدمد: | 00092614 |
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