Communication: Global minimum search of ${\rm Ag}^+_{10}$ Ag 10+ with molecular beam optical spectroscopy

The present study is focused on the optical properties of the \documentclass[12pt]{minimal}\begin{document}${\rm Ag}^+_{10}$\end{document} Ag 10+ cluster in the photon energy range ℏω = 1.9–4.4 eV. Absorption spectra are recorded by longitudinal molecular beam depletion spectroscopy and compared to...

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Bibliographic Details
Published in:The Journal of chemical physics 2014-11, Vol.141 (18)
Main Authors: Shayeghi, A., Johnston, R. L., Schäfer, R.
Format: Article
Language:English
Subjects:
Absorption spectra
Clusters
Computer simulation
Density functional theory
Genetic algorithms
Isomers
Molecular beams
Optical properties
Spectrum analysis
Time dependence
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Summary:The present study is focused on the optical properties of the \documentclass[12pt]{minimal}\begin{document}${\rm Ag}^+_{10}$\end{document} Ag 10+ cluster in the photon energy range ℏω = 1.9–4.4 eV. Absorption spectra are recorded by longitudinal molecular beam depletion spectroscopy and compared to optical response calculations using time-dependent density functional theory. Several cluster isomers obtained by the new pool-based parallel implementation of the Birmingham Cluster Genetic Algorithm, coupled with density functional theory, are used in excited state calculations. The experimental observations, together with additional simulations of ion mobilities for the several geometries found within this work using different models, clearly identify the ground state isomer of \documentclass[12pt]{minimal}\begin{document}${\rm Ag}^+_{10}$\end{document} Ag 10+ to be composed of two orthogonal interpenetrating pentagonal bipyramids, having overall D2d symmetry.
ISSN:0021-9606
1089-7690
DOI:10.1063/1.4901109