On the theory of time-resolved x-ray diffraction

Niels Engholm Henriksen; Klaus Braagaard Møller

doi:10.1021/jp075497e

On the theory of time-resolved x-ray diffraction

Niels Engholm Henriksen, Klaus Braagaard Møller

Department of Chemistry

Research output: Contribution to journal › Journal article › Research › peer-review

Abstract

We derive the basic theoretical formulation for X-ray diffraction with pulsed fields, using a fully quantized description of light and matter. Relevant time scales are discussed for coherent as well as incoherent X-ray pulses, and we provide expressions to be used for calculation of the experimental diffraction signal for both types of X-ray sources. We present a simple analysis of time-resolved X-ray scattering for direct bond breaking in diatomic molecules. This essentially analytical approach highlights the relation between the signal and the time-dependent quantum distribution of internuclear positions, including thermal effects.

Original language	English
Journal	Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, The
Volume	112
Issue number	2
Pages (from-to)	558-567
ISSN	1520-6106
DOIs	https://doi.org/10.1021/jp075497e
Publication status	Published - 2008

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AB - We derive the basic theoretical formulation for X-ray diffraction with pulsed fields, using a fully quantized description of light and matter. Relevant time scales are discussed for coherent as well as incoherent X-ray pulses, and we provide expressions to be used for calculation of the experimental diffraction signal for both types of X-ray sources. We present a simple analysis of time-resolved X-ray scattering for direct bond breaking in diatomic molecules. This essentially analytical approach highlights the relation between the signal and the time-dependent quantum distribution of internuclear positions, including thermal effects.

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JF - Journal of Physical Chemistry Part B: Condensed Matter, Materials, Surfaces, Interfaces & Biophysical, The

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On the theory of time-resolved x-ray diffraction

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