...单电子波函数，首先在密度泛函（DFF）框架内计算得出，且满足一定的边界条件；对电极区域只做简单的“凝胶模型（jellium model）”处理；Go是裸电极时的Green函数，取平面波为基函数时能解析表出；V是放入芯分子后器件.
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The jellium model in a certain approximation leads to the equation.
胶 模型在某种近似下导致下列方程。
The thesis is structured as below: Chapter 1 is a brief introduction to metal cluster as well as Jellium model which describes its electronic structure, mainly introduced the sphere Jellium model.
本论文主要包括以下内容：第一章，对金属团簇以及用于描述其电子结构的凝胶模型的简要介绍，其中主要介绍了球形凝胶模型的计算原理。
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