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Title: Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule

Abstract

The tool box for imaging molecules is well-equipped today. Some of the techniques visualize the mean geometrical structure, others image the single electron density or single electron orbitals. Molecules, however, are many-body systems for which the correlation between the constituents is often decisive and the spatial and the momentum distribution of one electron depend on the positions and momenta of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. We implement an imaging scheme which visualizes correlations between electrons by coincident detection of the electronic and nuclear fragments after high energy photofragmentation. We use this technique to examine parts of the H 2 two-electron wave function in which electron-electron correlation beyond the mean-field level is prominent and we visualize the dependence of the correlated two-electron wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging and our study paves the way for future time resolved imaging of electron correlations at free electron lasers and laser based X-ray sources. (The original version of this Article contained an error in the fifth sentence of the first paragraph of the 'Application on H 2' section ofmore » the Results, which incorrectly read 'The role of electron correlation is quite apparent in this presentation: Fig. 1a is empty for the uncorrelated Hartree-Fock wave function, since projection of the latter wave function onto the 2pσ uorbital is exactly zero, while this is not the case for the fully correlated wave function (Fig. 1d); also, Fig. 1b, c for the uncorrelated description are identical, while Fig. 1e, f for the correlated case are significantly different.' The correct version replaces 'Fig. 1e, f' with 'Fig. 2e and f'. This has been corrected in both the PDF and HTML versions of the Article.)« less

Authors:
 [1];  [2];  [1];  [1];  [1];  [1];  [1];  [1]; ORCiD logo [3];  [4];  [4];  [5];  [5];  [6];  [1];  [7];  [1];  [8];  [9];  [10] more »;  [2];  [11];  [1]; ORCiD logo [1] « less
  1. Goethe Univ., Frankfurt (Germany). Inst. for Nuclear Physics
  2. Autonomous Univ. of Madrid (Spain). Dept. of Chemistry
  3. Univ. of Kassel, Kassel (Germany)
  4. Univ. of Hamburg (Germany). Inst. for Theoretical Physics
  5. Deutsches Elektronen-Synchrotron (DESY), Hamburg (Germany)
  6. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Chemical Sciences Division
  7. Univ. of Nevada, Reno, NV (United States). Dept. of Physics
  8. Saratov State Univ. (Russian Federation). Dept. of Theoretical Physics
  9. Australian National Univ., Canberra, ACT (Australia). Research School of Physical Sciences
  10. Autonomous Univ. of Madrid (Spain). Dept. of Chemistry; Univ. of Central Florida, Orlando, FL (United States). College of Optics and Photonics, Center for Research and Education in Optics and Lasers (CREOL) and Dept. of Physics
  11. Autonomous Univ. of Madrid (Spain). Dept. of Chemistry and Condensed Matter Physics Center (IFIMAC); Madrid Inst. of Advanced Studies in Nanoscience (IMDEA Nanoscience), Madrid (Spain)
Publication Date:
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22); German Research Foundation (DFG); German Federal Ministry of Education and Research (BMBF); European Union (EU); European Research Council (ERC); Ministry of Economy and Competitiveness (MINECO) (Spain); Wilhelm and Else Heraeus Foundation
OSTI Identifier:
1461177
Grant/Contract Number:  
AC02-05CH11231; FP7/2007-2013; 290853 XCHEM; FIS2013-42002-R; FIS2016-77889-R; XLIC CM1204; SFB925/A3; 654220
Resource Type:
Accepted Manuscript
Journal Name:
Nature Communications
Additional Journal Information:
Journal Volume: 9; Journal Issue: 1; Journal ID: ISSN 2041-1723
Publisher:
Nature Publishing Group
Country of Publication:
United States
Language:
English
Subject:
73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Citation Formats

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., Schoffler, M. S., Serov, V. V., Kheifets, A. S., Argenti, L., Palacios, A., Martin, F., Jahnke, T., and Dorner, R. Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule. United States: N. p., 2017. Web. doi:10.1038/s41467-018-04740-5.
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., Schoffler, M. S., Serov, V. V., Kheifets, A. S., Argenti, L., Palacios, A., Martin, F., Jahnke, T., & Dorner, R. Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule. United States. doi:10.1038/s41467-018-04740-5.
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., Schoffler, M. S., Serov, V. V., Kheifets, A. S., Argenti, L., Palacios, A., Martin, F., Jahnke, T., and Dorner, R. Fri . "Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule". United States. doi:10.1038/s41467-018-04740-5. https://www.osti.gov/servlets/purl/1461177.
@article{osti_1461177,
title = {Publisher Correction: Imaging the square of the correlated two-electron wave function of a hydrogen molecule},
author = {Waitz, M. and Bello, R. Y. and Metz, D. and Lower, J. and Trinter, F. and Schober, C. and Keiling, M. and Lenz, U. and Pitzer, M. and Mertens, K. and Martins, M. and Viefhaus, J. and Klumpp, S. and Weber, T. and Schmidt, L. Ph. H. and Williams, J. B. and Schoffler, M. S. and Serov, V. V. and Kheifets, A. S. and Argenti, L. and Palacios, A. and Martin, F. and Jahnke, T. and Dorner, R.},
abstractNote = {The tool box for imaging molecules is well-equipped today. Some of the techniques visualize the mean geometrical structure, others image the single electron density or single electron orbitals. Molecules, however, are many-body systems for which the correlation between the constituents is often decisive and the spatial and the momentum distribution of one electron depend on the positions and momenta of the other electrons and the nuclei. Such correlations have escaped direct observation by imaging techniques so far. We implement an imaging scheme which visualizes correlations between electrons by coincident detection of the electronic and nuclear fragments after high energy photofragmentation. We use this technique to examine parts of the H2 two-electron wave function in which electron-electron correlation beyond the mean-field level is prominent and we visualize the dependence of the correlated two-electron wave function on the internuclear distance. High energy photoelectrons are shown to be a powerful tool for molecular imaging and our study paves the way for future time resolved imaging of electron correlations at free electron lasers and laser based X-ray sources. (The original version of this Article contained an error in the fifth sentence of the first paragraph of the 'Application on H2' section of the Results, which incorrectly read 'The role of electron correlation is quite apparent in this presentation: Fig. 1a is empty for the uncorrelated Hartree-Fock wave function, since projection of the latter wave function onto the 2pσuorbital is exactly zero, while this is not the case for the fully correlated wave function (Fig. 1d); also, Fig. 1b, c for the uncorrelated description are identical, while Fig. 1e, f for the correlated case are significantly different.' The correct version replaces 'Fig. 1e, f' with 'Fig. 2e and f'. This has been corrected in both the PDF and HTML versions of the Article.)},
doi = {10.1038/s41467-018-04740-5},
journal = {Nature Communications},
number = 1,
volume = 9,
place = {United States},
year = {2017},
month = {12}
}

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