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Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering

As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state,...

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Autores principales: Ignatova, Nina, Cruz, Vinícius V., Couto, Rafael C., Ertan, Emelie, Zimin, Andrey, Guimarães, Freddy F., Polyutov, Sergey, Ågren, Hans, Kimberg, Victor, Odelius, Michael, Gel’mukhanov, Faris
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5339714/
https://www.ncbi.nlm.nih.gov/pubmed/28266586
http://dx.doi.org/10.1038/srep43891
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author Ignatova, Nina
Cruz, Vinícius V.
Couto, Rafael C.
Ertan, Emelie
Zimin, Andrey
Guimarães, Freddy F.
Polyutov, Sergey
Ågren, Hans
Kimberg, Victor
Odelius, Michael
Gel’mukhanov, Faris
author_facet Ignatova, Nina
Cruz, Vinícius V.
Couto, Rafael C.
Ertan, Emelie
Zimin, Andrey
Guimarães, Freddy F.
Polyutov, Sergey
Ågren, Hans
Kimberg, Victor
Odelius, Michael
Gel’mukhanov, Faris
author_sort Ignatova, Nina
collection PubMed
description As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound [Image: see text] core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow “canyon-like” shape of the potential of the [Image: see text] state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state [Image: see text]. The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the [Image: see text] state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate.
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spelling pubmed-53397142017-03-10 Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering Ignatova, Nina Cruz, Vinícius V. Couto, Rafael C. Ertan, Emelie Zimin, Andrey Guimarães, Freddy F. Polyutov, Sergey Ågren, Hans Kimberg, Victor Odelius, Michael Gel’mukhanov, Faris Sci Rep Article As is well established, the symmetry breaking by isotope substitution in the water molecule results in localisation of the vibrations along one of the two bonds in the ground state. In this study we find that this localisation may be broken in excited electronic states. Contrary to the ground state, the stretching vibrations of HDO are delocalised in the bound [Image: see text] core-excited state in spite of the mass difference between hydrogen and deuterium. The reason for this effect can be traced to the narrow “canyon-like” shape of the potential of the [Image: see text] state along the symmetric stretching mode, which dominates over the localisation mass-difference effect. In contrast, the localisation of nuclear motion to one of the HDO bonds is preserved in the dissociative core-excited state [Image: see text]. The dynamics of the delocalisation of nuclear motion in these core-excited states is studied using resonant inelastic X-ray scattering of the vibrationally excited HDO molecule. The results shed light on the process of a wave function collapse. After core-excitation into the [Image: see text] state of HDO the initial wave packet collapses gradually, rather than instantaneously, to a single vibrational eigenstate. Nature Publishing Group 2017-03-07 /pmc/articles/PMC5339714/ /pubmed/28266586 http://dx.doi.org/10.1038/srep43891 Text en Copyright © 2017, The Author(s) http://creativecommons.org/licenses/by/4.0/ This work is licensed under a Creative Commons Attribution 4.0 International License. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in the credit line; if the material is not included under the Creative Commons license, users will need to obtain permission from the license holder to reproduce the material. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/
spellingShingle Article
Ignatova, Nina
Cruz, Vinícius V.
Couto, Rafael C.
Ertan, Emelie
Zimin, Andrey
Guimarães, Freddy F.
Polyutov, Sergey
Ågren, Hans
Kimberg, Victor
Odelius, Michael
Gel’mukhanov, Faris
Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title_full Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title_fullStr Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title_full_unstemmed Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title_short Gradual collapse of nuclear wave functions regulated by frequency tuned X-ray scattering
title_sort gradual collapse of nuclear wave functions regulated by frequency tuned x-ray scattering
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5339714/
https://www.ncbi.nlm.nih.gov/pubmed/28266586
http://dx.doi.org/10.1038/srep43891
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