電子分子動力学法による金属クラスタの光吸収スペクトルに関する研究
1994 年 60 巻 573 号 p. 1690-1697
詳細
1994 年 60 巻 573 号 p. 1690-1697
The absorption cross section of metal clusters having a simple electronic configuration, such as K-Xe clusters, K-K clusters, is studied with the quantum mechanics and molecular dynamics method by solving the time-dependent Schrodinger equation for electronic states and the classical Newtonian equations for ionic and atomic motion. Results show the difference of the absorption spectra depending on the atomic configuration and motion. The larger the cluster size is, the more peaks are observed in the absorption spectra. Such peaks are caused by the influence of other electrons or atoms on the unlocalized electron density.
