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Spatially Resolved Dynamic Structure Factor of Finite Systems from MD Simulations
Dynamic Structure Factor metallic clusters
2011/8/26
The dynamical response of metallic clusters up to 103 atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation fun...
Symplectic Integration Methods in Molecular and Spin Dynamics Simulations
Symplectic Integration Methods Molecular and Spin Dynamics Simulations
2010/10/19
We review recently developed decomposition algorithms for molecular dynamics and spin dynamics simulations of many-body systems. These methods are time reversible, symplectic, and the error in the tot...