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A classical picture of subnanometer junctions: an atomistic Drude approach to nanoplasmonics

机译:一个经典的照片subnanometer连接:一个原子论的柯克nanoplasmonics方法

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摘要

The description of optical properties of subnanometer junctions is particularly challenging. Purely classical approaches fail, because the quantum nature of electrons needs to be considered. Here we report on a novel classical fully atomistic approach, FQ, based on the Drude model for conduction in metals, classical electrostatics and quantum tunneling. We show that FQ is able to reproduce the plasmonic behavior of complex metal subnanometer junctions with quantitative fidelity to full ab initio calculations. Besides the practical potentialities of our approach for large scale nanoplasmonic simulations, we show that a classical approach, in which the atomistic discretization of matter is properly accounted for, can accurately describe the nanoplasmonics phenomena dominated by quantum effects.
机译:光学性质的描述subnanometer路口特别具有挑战性的。因为电子的量子本质需要被考虑。FQ,古典完全原子论的方法基于柯克模型在金属传导,经典静电学和量子隧穿。我们表明,FQ能够繁殖电磁场作用下的复杂金属subnanometer连接与定量富达ab在开头的计算。我们的方法对于大型规模的可能性nanoplasmonic模拟,我们表明经典方法,原子论的离散化的物质是正确的解释,能够准确地描述nanoplasmonics由量子效应现象。

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