Ab initio excitation spectra and collective electronic response in atoms and clusters

被引:178
作者
Vasiliev, I
Ögüt, S
Chelikowsky, JR
机构
[1] Univ Minnesota, Dept Chem Engn & Mat Sci, Minneapolis, MN 55455 USA
[2] Univ Minnesota, Minnesota Supercomp Inst, Minneapolis, MN 55455 USA
关键词
D O I
10.1103/PhysRevLett.82.1919
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We implement the linear response theory within the time-dependent local density-functional formalism (TDLDA) to calculate excitation energies and photoabsorption spectra of atoms and clusters. The calculated nb initio spectra are in very good agreement with experiment. Along with the exact TDLDA formalism, we consider several approximate expressions for the electronic transition energies. The analysis of the spectra calculated with different levels of approximation indicates the important role of the collective electronic excitations in atoms and clusters.
引用
收藏
页码:1919 / 1922
页数:4
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