Ab Initio Molecular Dynamics of Column IV Microclusters
Keyword(s):
ABSTRACTWe report the results of ab-initio molecular dynamics simulations for small clusters of Si and C atoms. Ground-state geometries and vibrational spectra are presented. We also describe a Bayesian spectral estimation technique which we have found to be useful in analyzing molecular dynamics trajectories.
2021 ◽
Vol 2021.27
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pp. 10C07
2015 ◽
Vol 17
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pp. 3207-3213
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2012 ◽
Vol 18
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pp. 5612-5619
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1999 ◽
Vol 11
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pp. 5387-5398
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