Chemical bond elongation following core-excitation of ammonia : resonant Auger spectra calculation

Journal of Physics B: Atomic, Molecular and Optical Physics Volume 42 Issue 24 published_at 2009
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Title ( eng )
Chemical bond elongation following core-excitation of ammonia : resonant Auger spectra calculation
Creator
Matsuyama Kodai
Tabayashi Kiyohiko
Source Title
Journal of Physics B: Atomic, Molecular and Optical Physics
Volume 42
Issue 24
Abstract
Theoretical resonant Auger decay spectra of ammonia with core-hole excited state dynamics simulation were investigated and some specific features of the experiment, except for a vibrational structure, were reproduced. A power spectral analysis with short-time maximum entropy method has been applied, and an obtained vibrational spacing assigned to the NH stretching mode was 340 meV, which was consistent with the experiment of 390 +/- 10 meV. Proton dynamics of ammonia on the first core-excited state was discussed.
NDC
Physics [ 420 ]
Language
eng
Resource Type journal article
Publisher
IOP Publishing Ltd
Date of Issued 2009
Rights
Copyright (c) Institute of Physics and IOP Publishing Limited 2009.
Publish Type Author’s Original
Access Rights open access
Source Identifier
[ISSN] 0953-4075
[DOI] 10.1088/0953-4075/42/24/245102
[NCID] AA10693237
[DOI] http://dx.doi.org/10.1088/0953-4075/42/24/245102