Imaging electron-density fluctuations by multidimensional X-ray photon-coincidence diffraction

Ye, Lyuzhou; Rouxel, Jérémy R.; Cho, Daeheum; Mukamel, Shaul

doi:10.1073/pnas.1816730116

Title: Imaging electron-density fluctuations by multidimensional X-ray photon-coincidence diffraction

Journal Article · Mon Dec 24 00:00:00 EST 2018 · Proceedings of the National Academy of Sciences of the United States of America

DOI:https://doi.org/10.1073/pnas.1816730116· OSTI ID:1488766

Ye, Lyuzhou; Rouxel, Jérémy R.; Cho, Daeheum;

The ultrafast spontaneous electron-density fluctuation dynamics in molecules is studied theoretically by off-resonant multiple X-ray diffraction events. The time- and wavevector-resolved photon-coincidence signals give an image of electron-density fluctuations expressed through the four-point correlation function of the charge density in momentum space. A Fourier transform of the signal provides a real-space image of the multipoint charge-density correlation functions, which reveal snapshots of the evolving electron density in between the diffraction events. Finally, the proposed technique is illustrated by ab initio simulations of the momentum- and real-space inelastic scattering signals from a linear cyanotetracetylene molecule.

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Research Organization:: Univ. of California, Irvine, CA (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES). Chemical Sciences, Geosciences, and Biosciences Division; National Science Foundation (NSF)

Grant/Contract Number:: FG02-04ER15571; SC0019484; CHE-1663822

OSTI ID:: 1488766

Alternate ID(s):: OSTI ID: 1609514

Journal Information:: Proceedings of the National Academy of Sciences of the United States of America, Journal Name: Proceedings of the National Academy of Sciences of the United States of America Vol. 116 Journal Issue: 2; ISSN 0027-8424

Publisher:: National Academy of SciencesCopyright Statement

Country of Publication:: United States

Language:: English

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Cited by: 12 works

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