外电场作用下平面转子Rydberg波包的演化和恢复

利用Rydberg波包分析量子力学体系的动力学行为是研究经典力学和量子力学的对应关系的一个非常重要的方法.本文主要研究了在外电场作用下平面转子的Rydberg波包的演化和恢复结构.结果表明:在弱电场作用下,波包仍可周期性的坍塌和恢复,但在强电场作用下,平面转子的Rydberg波包演化结构则与谐振子的相符.     

Geometrical,energetic and electronic properties of Au_n-(C_3H_6O)_m complexes(n = 3,5,m≤n):A density functional theory study

<正>The interactions of acetone molecules with clusters of AU_3 and Au_5 are investigated by using a density functional theory(DFT) within a generalized gradient approximation(GGA).The geometries,adsorption energies and deformation electron density distributions are used to analyse these interactions.The present calculations show that more than one acetone molecule can be adsorbed onto small gold clusters,and this adsorption is different from that of single molecule absorption.The coordination number of the adsorption site on the gold cluster is the dominant factor responsible for the strength of the interactions.The effects of the Au-O bond lengths in the complexes on adsorption energies between Au clusters and acetone molecules are also examined.