Van der Waals coefficients for alkali metal clusters and their size dependence
Click here to view fulltext PDF
In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waals coefficientsC6 andC8 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 andC8 scale as the sixth and the eighth power of the cluster radius, respectively, and approach their classically predicted values for the large size clusters.
Arup Banerjee1 Manoj K Harbola2
Volume 97, 2023
Continuous Article Publishing mode
Click here for Editorial Note on CAP Mode