基于MD仿真的有限系统空间分解动力结构因子
Spatially Resolved Dynamic Structure Factor of Finite Systems from MD Simulations
摘要：
采用限制性分子动力学模拟方法研究了金属团簇对$10^3$原子的动力学响应。示例性地，考虑钠样材料。利用关联函数研究了团簇电子集体激发的空间结构和激光激发团簇的光学响应。特别是，双局域关联函数的频谱显示共振表示纳米等离子体内部的集体激发的不同模式。研究了不同电子密度、温度、团簇尺寸和电离度下本征模的空间结构、共振能量和宽度。与体性质进行了比较，并讨论了集体激发的色散关系。
英文摘要：
The dynamical response of metallic clusters up to $10^3$ atoms is investigated using the restricted molecular dynamics simulations scheme. Exemplarily, sodium like material is considered. Correlation functions are evaluated to investigate the spatial structure of collective electron excitations and optical response of laser excited clusters. In particular, the spectrum of bi-local correlation functions shows resonances representing different modes of collective excitations inside the nano plasma. The spatial structure, the resonance energy and width of the eigenmodes have been investigated for various values of electron density, temperature, cluster size and ionization degree. Comparison with bulk properties is performed and the dispersion relation of collective excitations is discussed.
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