dorsal/arxiv
View SchemaCalculation of van der Walls coefficients of alkali metal clusters by hydrodynamic approach to time-dependent density-functional theory
| Authors | Arup Banerjee, Manoj K. Harbola |
|---|---|
| Categories | |
| ArXiv ID | physics/0408087 |
| URL | https://arxiv.org/abs/physics/0408087 |
Abstract
In this paper we employ the hydrodynamic formulation of time-dependent density functional theory to obtain the van der Waal coefficients $C_{6}$ and $C_{8}$ of alkali-metal clusters of various sizes including very large clusters. Such calculation becomes computationally very demanding in the orbital-based Kohn-Sham formalism, but quite simple in the hydrodynamic approach. We show that for interactions between the clusters of same sizes, $C_{6}$ and $C_{8}$ sale as the sixth and the eighth power of the cluster radius rsepectively, and approach the respective classically predicted values for the large size clusters.
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"abstract": "In this paper we employ the hydrodynamic formulation of time-dependent\ndensity functional theory to obtain the van der Waal coefficients $C_{6}$ and\n$C_{8}$ of alkali-metal clusters of various sizes including very large\nclusters. Such calculation becomes computationally very demanding in the\norbital-based Kohn-Sham formalism, but quite simple in the hydrodynamic\napproach. We show that for interactions between the clusters of same sizes,\n$C_{6}$ and $C_{8}$ sale as the sixth and the eighth power of the cluster\nradius rsepectively, and approach the respective classically predicted values\nfor the large size clusters.",
"arxiv_id": "physics/0408087",
"authors": [
"Arup Banerjee",
"Manoj K. Harbola"
],
"categories": [
"physics.atm-clus"
],
"title": "Calculation of van der Walls coefficients of alkali metal clusters by hydrodynamic approach to time-dependent density-functional theory",
"url": "https://arxiv.org/abs/physics/0408087"
},
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