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Imaging the square of the correlated two-electron wave function of a hydrogen molecule

The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distributio...

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Autores principales: Waitz, M., Bello, R. Y., Metz, D., Lower, J., Trinter, F., Schober, C., Keiling, M., Lenz, U., Pitzer, M., Mertens, K., Martins, M., Viefhaus, J., Klumpp, S., Weber, T., Schmidt, L. Ph. H., Williams, J. B., Schöffler, M. S., Serov, V. V., Kheifets, A. S., Argenti, L., Palacios, A., Martín, F., Jahnke, T., Dörner, R.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Nature Publishing Group UK 2017
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5741688/
https://www.ncbi.nlm.nih.gov/pubmed/29273745
http://dx.doi.org/10.1038/s41467-017-02437-9
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author Waitz, M.
Bello, R. Y.
Metz, D.
Lower, J.
Trinter, F.
Schober, C.
Keiling, M.
Lenz, U.
Pitzer, M.
Mertens, K.
Martins, M.
Viefhaus, J.
Klumpp, S.
Weber, T.
Schmidt, L. Ph. H.
Williams, J. B.
Schöffler, M. S.
Serov, V. V.
Kheifets, A. S.
Argenti, L.
Palacios, A.
Martín, F.
Jahnke, T.
Dörner, R.
author_facet Waitz, M.
Bello, R. Y.
Metz, D.
Lower, J.
Trinter, F.
Schober, C.
Keiling, M.
Lenz, U.
Pitzer, M.
Mertens, K.
Martins, M.
Viefhaus, J.
Klumpp, S.
Weber, T.
Schmidt, L. Ph. H.
Williams, J. B.
Schöffler, M. S.
Serov, V. V.
Kheifets, A. S.
Argenti, L.
Palacios, A.
Martín, F.
Jahnke, T.
Dörner, R.
author_sort Waitz, M.
collection PubMed
description The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H(2) two-electron wave function in which electron–electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources.
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spelling pubmed-57416882017-12-29 Imaging the square of the correlated two-electron wave function of a hydrogen molecule Waitz, M. Bello, R. Y. Metz, D. Lower, J. Trinter, F. Schober, C. Keiling, M. Lenz, U. Pitzer, M. Mertens, K. Martins, M. Viefhaus, J. Klumpp, S. Weber, T. Schmidt, L. Ph. H. Williams, J. B. Schöffler, M. S. Serov, V. V. Kheifets, A. S. Argenti, L. Palacios, A. Martín, F. Jahnke, T. Dörner, R. Nat Commun Article The toolbox for imaging molecules is well-equipped today. Some techniques visualize the geometrical structure, others the electron density or electron orbitals. Molecules are many-body systems for which the correlation between the constituents is decisive and the spatial and the momentum distribution of one electron depends on those of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. Here, we implement an imaging scheme which visualizes correlations between electrons by coincident detection of the reaction fragments after high energy photofragmentation. With this technique, we examine the H(2) two-electron wave function in which electron–electron correlation beyond the mean-field level is prominent. We visualize the dependence of the wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging. Our study paves the way for future time resolved correlation imaging at FELs and laser based X-ray sources. Nature Publishing Group UK 2017-12-22 /pmc/articles/PMC5741688/ /pubmed/29273745 http://dx.doi.org/10.1038/s41467-017-02437-9 Text en © The Author(s) 2017 Open Access This article is licensed under a Creative Commons Attribution 4.0 International License, which permits use, sharing, adaptation, distribution and reproduction in any medium or format, as long as you give appropriate credit to the original author(s) and the source, provide a link to the Creative Commons license, and indicate if changes were made. The images or other third party material in this article are included in the article’s Creative Commons license, unless indicated otherwise in a credit line to the material. If material is not included in the article’s Creative Commons license and your intended use is not permitted by statutory regulation or exceeds the permitted use, you will need to obtain permission directly from the copyright holder. To view a copy of this license, visit http://creativecommons.org/licenses/by/4.0/.
spellingShingle Article
Waitz, M.
Bello, R. Y.
Metz, D.
Lower, J.
Trinter, F.
Schober, C.
Keiling, M.
Lenz, U.
Pitzer, M.
Mertens, K.
Martins, M.
Viefhaus, J.
Klumpp, S.
Weber, T.
Schmidt, L. Ph. H.
Williams, J. B.
Schöffler, M. S.
Serov, V. V.
Kheifets, A. S.
Argenti, L.
Palacios, A.
Martín, F.
Jahnke, T.
Dörner, R.
Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title_full Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title_fullStr Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title_full_unstemmed Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title_short Imaging the square of the correlated two-electron wave function of a hydrogen molecule
title_sort imaging the square of the correlated two-electron wave function of a hydrogen molecule
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5741688/
https://www.ncbi.nlm.nih.gov/pubmed/29273745
http://dx.doi.org/10.1038/s41467-017-02437-9
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