中国物理B ›› 2003, Vol. 12 ›› Issue (2): 164-168.doi: 10.1088/1009-1963/12/2/308

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Time dependent density functional calculation of plasmon response in clusters

王锋1, 张丰收2, Eric Suraud3   

  1. (1)Center for Atomic and Molecular Nanoscience, Tsinghua University, Beijing 100084, China; (2)Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China; (3)Laboratoire de Physique Quantique, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, France
  • 收稿日期:2002-05-02 修回日期:2002-10-14 出版日期:2003-02-16 发布日期:2005-03-16

Time dependent density functional calculation of plasmon response in clusters

Wang Feng (王锋)a, Zhang Feng-Shou (张丰收)b, Eric Suraudc   

  1. a Center for Atomic and Molecular Nanoscience, Tsinghua University, Beijing 100084, China; b Institute of Modern Physics, Chinese Academy of Sciences, Lanzhou 730000, China; c Laboratoire de Physique Quantique, Université Paul Sabatier, 118 route de Narbonne, 31062 Toulouse Cedex, France
  • Received:2002-05-02 Revised:2002-10-14 Online:2003-02-16 Published:2005-03-16

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摘要： We have introduced a theoretical scheme for the efficient description of the optical response of a cluster based on the time-dependent density functional theory. The practical implementation is done by means of the fully fledged time-dependent local density approximation scheme, which is solved directly in the time domain without any linearization. As an example we consider the simple Na_{2} cluster and compute its surface plasmon photoabsorption cross section, which is in good agreement with the experiments.

Abstract: We have introduced a theoretical scheme for the efficient description of the optical response of a cluster based on the time-dependent density functional theory. The practical implementation is done by means of the fully fledged time-dependent local density approximation scheme, which is solved directly in the time domain without any linearization. As an example we consider the simple Na2 cluster and compute its surface plasmon photoabsorption cross section, which is in good agreement with the experiments.

Key words: optical response of cluster, time-dependent density functional theory

中图分类号:  (Structure of nanoscale materials)

  • 61.46.-w
71.15.Mb (Density functional theory, local density approximation, gradient and other corrections) 73.20.Mf (Collective excitations (including excitons, polarons, plasmons and other charge-density excitations))