Van der Waals coefficients for alkali metal clusters and their size dependence

Pramana

Manoj K Harbola²  Arup Banerjee1¹ 

[1] Laser Physics Division, Centre for Advanced Technology, Indore 452 013, India$$;Department of Physics, Indian Institute of Technology, Kanpur 208 016, India$$

关键词: Metal clusters;    response properties;    van der Waals coefficients.;   

DOI  :  

学科分类：物理（综合）

来源: Indian Academy of Sciences

【 摘 要 】

In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficients 𝐶6 and 𝐶8 of alkali metal clusters of various sizes including very large clusters. Such calculations become computationally very demanding in the orbital-based Kohn-Sham formalism, but are quite simple in the hydrodynamic approach. We show that for interactions between the clusters of the same sizes, 𝐶6 and 𝐶8 scale as the sixth and the eighth power of the cluster radius, respectively, and approach their classically predicted values for the large size clusters.

【 授权许可】

Unknown