以下为句子列表：
英文: Abstract: The effect of correction of self-consistent potential on electronic structure in simple cubic nanocrystal particles is calculated by means of the Green's function method in the tight-binding approximation, taking only the nearest neighbor matrix
中文: 文摘:在紧束缚近似下，只计及最近邻的矩阵元，采用格林函数计算了自洽势修正对简立方纳米晶体颗粒的电子结构的影响，发现电子能谱发生了移动，化学势不等于格点原子能级，各格点的电子密度也发生了变化，其中以表面格点的电子密度变化最大。
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英文: German-born Canadian physicist. He won a1971 Nobel Prize for chemistry for his contributions to the understanding of the electronic structure and geometry of molecules.
中文: 赫尔茨伯格，格哈得生于1904德裔加拿大物理学家。他因理解分子的电子构造与几何形状而做出的贡献而获1971年诺贝尔化学奖
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英文: Significant changes were observed in the ground state electronic structure and the direction of electron transfer upon excitation for 1 and 2, 3.
中文: 体系1~3的最大吸收波长依次发生红移，与实验结果相符合。
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英文: The CDG is a small group of UK academics working in the field of density functional theory and electronic structure calculations.
中文: CDG是在密度的地里工作的英国学者的一个小组功能的理论和电子结构计算。
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英文: Based on these parameters and the model of Maxwell_Garnett effective medium, the corresponding energy parameters of the electronic structure of isolated molecules of C 0 are given in a linear approximation.
中文: 基于Maxwel＿Garnet有效介质模型理论，由不同有机溶剂形态下C0电子态能级结构参数外推获得了C0孤立分子的本征电子态能级结构参数，从而为详细了解和研究C0分子不同形态下电子态结构的变化提供了较完整的实验数据．
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