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Ab Initio Molecular Dynamics of Column IV Microclusters
Published online by Cambridge University Press: 16 February 2011
Abstract
We 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.
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- Copyright © Materials Research Society 1990
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