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

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 deci...

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Veröffentlicht in:Nature communications 2017-12, Vol.9 (1)
Hauptverfasser: 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.
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Sprache:eng
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Zusammenfassung: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.)
ISSN:2041-1723
2041-1723