电荷密度

Unfortunately, it has been shownthat these methods are not suitable to study about chemical bonds due to not involvingchemical bonds. In order to consider chemical bonds obviously, we have proposed an atom-bondelectronegativity equalization model on the basis of density-functionaltheory and electronegativity equalization principle. The main contents of our atom-bond electronegativity equalization model contain:(1)Considering the fact that there are varies of chemical bonds in molecules andpartitioning the molecular electron density as summations of atomic electron densitiesand chemical bond's electron densities, we obtained the basic equations of atom-bondelectronegativity equalization model: the expression of the total energy 〓, theexpression of the atom electronegativity 〓 and the expression of the bondelectronegativity 〓.

为了明确地考虑和处理分子中存在的化学键，以便能够更好地描述体系中的电荷分布进而准确地描述分子体系中的有关物理化学性质，尤其是与化学键有关的物理化学性质，我们在密度泛函理论和电负性均衡原理基础上提出了原子-键电负性均衡模型，原子-键电负性均衡模型的主要内容是：(1)考虑到分子体系中存在各种化学键这个事实，将分子空间看成是由原子区和化学键区组成的，将分子的单电子密度表达成为分子中各组成原子的单电子密度和各化学键的单电子密度的加和，从而得到了原子-键电负性均衡模型的基本方程：分子体系总能量〓和分子中原子电负性〓和化学键电负性〓表达式。

All these profit from using the carbon nanotubes with large surface and proper pore distribution as the cathode, which ensure the TiO_2 nanowire anode precede with the faradic reaction in the applied potential range. The hybrid supercapacitor exhibits improved power and energy performances by the increased potential window, particularly in the larger current density.

电化学性能的改善得益于以较大比表面积和适当孔径分布的碳纳米管为正极，在电极／电解液界面处发生静电吸附存贮大量电荷，促使TiO_2纳米线电极可以在较为宽的电位窗口内通畅地进行对应的法拉第反应，维持其优异的电容性能，这将在一定程度上改善了混合超级电容器的功率密度和能量密度，尤其在较大的电流密度下更有优势。

Meantime, due to there are many fluctuating modes in plasma, so it is able to bring a new beam-wave interaction mechanism, by it people can invent some new type high power microwave apparatus.

高功率微波装置中的电流密度很大，空间电荷效应强烈，影响了功率的提高，克服空间电荷效应的有效方法是在高功率微波器件中填充等离子体，由于等离子体对空间电荷的中和作用，传输电流会大大提高，从而大幅度提高输出功率，同时由于等离子体中存在多种波动模式，有可能带来新的注波互作用机制，发展新型的高功率微波器件。

The 3D cube representations of transition density can reveal visually the orientation and strength of tran-sition dipole moment,and charge different density show the orientation of charge transfer in TPA.

跃迁密度的三维实空间分析揭示了跃迁距的强度和方向，电荷差异密度显示双光子吸收过程中的电荷转移方向。

The output probability distribution of charge carrier multiplier structure from the electron multiplying charge-coupled device and its influence on image uniformity are studied. The probability model is established for the CCM structure of EMCCD. And based on the probability generating function and its properties, the probability distribution function of multiple CCM stages is deduced and its application in improving image uniformity is also discussed.

为了研究电子倍增电荷耦合器件中电荷载流子倍增结构的输出概率分布及其对图像均匀性的影响，建立了EMCCD中CCM结构的概率模型，利用概率生成函数推导了多级CCM倍增结构的输出概率密度函数，讨论了PDF在提高图像均匀性中的应用。

The results show that the major contribution to DOS of Mg and Pb are the 2p orbit of Mg and the 5d orbit of Pb, followed by the 3s orbit of Mg and the 6p orbit of Pb, the 6s orbit of Pb is the smallest one. There are a large number of charges around Mg, it has the characteristics of typical metal bond. Mg and Pb share some charges to form covalent bond, but the distortion of the charge at the junction is little; the proportion of covalent bond is less than the metal bond, Mg2Pb is semimetal. The elastic modulus and shear modulus of Mg2Pb are 68.6 and 27.9 GPa, respectively. Based on Pugh empirical criterions and Poisson's ratio, Mg2Pb is brittle in nature.

结果表明：Mg和Pb对态密度的贡献主要是Mg的2p轨道和Pb的5d轨道，其次为Mg的3s轨道和Pb的6p轨道，Pb的6s轨道贡献最小；在Mg原子周围有大量的电荷存在，呈典型的金属键特征，Mg、Pb之间存在共用的电荷，有较强的离域性，以共价键形式存在，但交界电荷的畸变不大，故共价键所占比例较少，金属键所占比例较大，Mg2Pb化合物呈半金属性；Mg2Pb的弹性模量和切变模量分别为68.6和27.9 GPa，Pugh经验判据和泊松比均表明Mg2Pb具有脆性。

The authors compare the behaviors of space charge in dried and undried low density polyethylene and which doped with 0.5% Al_2O_3 powder via infrared spectrum method, thermogravimetry and the Pressure Wave Propagationmethod, and the water content is quantitatively measured.

作者通过红外吸收光谱法、热重分析法和压力波法，分别对低密度聚乙烯以及以0.5%Al2O3粉末掺杂的低密度聚乙烯在干燥前后的有关空间电荷行为进行了比较，定量给出水份含量和对应的空间电荷特性。

Comparative study of the properties of both ground and excited states of metal-free indoline dyes for dyesensitized solar cells revealed: as the number of rhodanine rings increases, the energy difference between HOMO and LUMO decreases and there is a red shift in the absorption spectrum with the binding energy increased, and the transition dipole moment decreased; Based on an analysis of cha...

对比研究吲哚染料的基态和激发态性质，揭示了随着绕丹宁环数目的增加，HOMO和LUMO的能量差减少，吸收光谱红移，但是束缚能增加，跃迁偶极矩减少；依据电荷差分密度，电荷和能量从苯乙烯转移到吲哚环和绕丹宁；电子空穴相干性主要表现在吲哚环和绕丹宁环，对于吲哚染料系统，存在一个绕丹宁环的体系的激子数目为30个原子，带有两个绕丹宁环的体系激子数目有40个原子。

The improved positively and negatively corona charged PTFE film electrets not only have a comparable charge storage density but also similar rule for their charge storage and decay in certain temperature region.

经改性后的正、负极性PTFE薄膜驻极体不仅具有相近的电荷储存密度，而且在一定的温度区间内它们的电荷储存和衰减呈现类似的规律。

The transition dipole moments of neutral and charged Green1 are compared using 3D transition density, which reveal the orientation and strength of transition dipole moments. The charge redistribution of neutral and charged Green1 upon excitation are shown and compared with 3D charge difference density. The electron-hole coherences of neutral and charged Green1 upon excitation are investigated with 2D site representation.

用3D跃迁密度方法对中性和带电的Green1的跃迁偶极矩进行比较，可显示出跃迁偶极矩的取向和强度；用3D电荷差异密度方法显示出激发后的中性和带电的Green1电荷重新分布，也进行了比较：用2D实空间分析方法来研究中性和带电的Green1处于激发态时的电子空穴相干性。

The split between the two groups can hardly be papered over.

这两个团体间的分歧难以掩饰。

This approach not only encourages a greater number of responses, but minimizes the likelihood of stale groupthink.

这种做法不仅鼓励了更多的反应，而且减少跟风的可能性。