电子能级

At last we have tested the electric performance of the as-grown CZT. By theory of SCLC, the electron trap density of 3.505×1010cm-3 and the electron trap energy level of Et=0.5063eV were calculated.

最后对晶片的电学性能进行了测试，通过使用空间电荷限制电流理论分析得到了电子陷阱浓度为：3.505×1010cm-3以及位于Et=0.5063eV处的电子陷阱能级。

Ab initio calculation UPS isoelcctronic molecule nitric oxide energy level ordering electron configuration

从头计算；紫外光电子能谱；等电子分子；一氧化氮；能级次序；电子组态

However, the spectral stability was increased, and the 0-1 transition and the full width at the half-maximum of photoluminescence spectra was decreased with the increase of the alkoxy length on phenylene. The nature (e.g. electron-donating and electron-withdrawing) of the substituted side groups on phenylene has obvious effect on the optical properties, QY and electrochemical properties of the polymers.

苯环上取代侧基的给吸电子性质变化对聚合物的光电性能具有全面的影响，改变取代侧基的给吸电子性质可调节芴苯共聚物的发光颜色和HOMO、LUMO能级以及HOMO-LUMO能隙等，因此，通过引入不同性质的侧基可以实现对此类聚合物光物理性能的调控。

Afterwards, using the spherical tensor form of many-electron atom Hamilton and the irreducible tensor theory, the relativistic and fine-structure energy correction to the non-relativistic energy of Boron-like atoms in the ground and the first excited states have been further investigated. A theoretically analytic way has been given as to the calculation of all the radial integrations and spin summations, which concern interactions such as orbit-orbit, spin-orbit, spin-spin and spin-other-orbit. Therefore, the whole process of calculating the many- electron atom energy structures has been explicitly revealed and the results are relatively precise and satisfactory.

在此基础上，利用多电子原子哈密顿算符的球张量形式和不可约张量理论，进一步研究了类硼离子基态和第一激发态非相对论能级的相对论修正和精细结构，给出了轨道-轨道、自旋-轨道、自旋-自旋、自旋-其它轨道等相互作用所涉及的所有角向积分和自旋求和的解析计算方法，清晰地展示了多电子原子结构计算的过程，得到了较为精确的理论计算结果。

After compared the densities of states and the charge distribution of MgH2 with and without titanium addition, it is found that the improvement of dehydrogenating properties of MgH2 caused by titanium alloying originates from the weakened bonding between magnesium and hydrogen, and the increasing of the valence electrons at Fermi level and decreasing of the HOMO-LUMO gap near Fermi level.

电子态密度与电子密度的进一步分析发现：合金化体系解氢能力增强的主要原因在于Mg—H之间的成键作用较弱，以及Ti诱导费米能级 E F处电子密度 N的增加和 E F附近HOMO-LUMO能隙Δ E H-L的变窄甚至消失。

The analyses of electronic structures shows that the catalytic reactivities for H2 adsorption of the different surfaces are dependent on the numbers of s orbital bonding electrons around Fermi level for the uppermost layer metal atoms which interact directly with H2. It is easy to form vacancy for hydrogen atoms next to iron atom, which indicates that hydrogen atom cannot be escaped, but it is difficult to from vacancy for hydrogen atoms next to magnesium atom, which indicates that hydrogen atom can be escaped. Hence it is thought that the change of dehydrogenating properties of MgH2 with or without a little iron addition attributes to the weakened bonding between magnesium and hydrogen.

分析电子结构发现：空位缺陷有助H2吸附于Mg表面，与Mg(0001)表面最上层与H2直接产生吸附作用的金属原子在费米能级附近s轨道的成键电子数密切相关；在Fe合金化MgH2体系中，与合金化元素Fe近邻的H原子形成空位的难度增加，H原子较难释放；与Mg近邻的H原子形成空位的难度减少，H原子容易释放；Fe合金化导致Mg-H之间存在较弱的成键作用，因此，MgH2体系的解氢性能得到提高。

Thirdly, electronic properties, such as HOMO and LUMO energies, band gaps, the ionization potential and electron affinity of 2, 7-linked and 3, 6-linked carbazole trimers, two conjugated oligomers with different linkage of carbazole, were studied by the density functional theory with Becke–Lee–Young–Parr composite exchange correlation functional (B3LYP).

第三，采用密度泛函理论在6-31G*基组上分别优化了两种2，7-和3，6-咔唑三聚物的电子结构，如HOMO和LUMO能级，能隙，电离能和电子亲和势。

The density of states near Fermi level mainly consists of p orbitals of each atom.

体系费米能级附近的电子态密度主要来源于各原子p态电子贡献。

With this formula,the critical electron density of pressure ionization for bound levels is calculated,and agrees ...

结果表明：束缚态能级能量随等离子体电子温度的升高而减小，随等离子体电子密度的增大而增大。

Li X D. Theoretical study of the autoionization levels for Li-like ions and the dielectronic recombination for He-like ions in Ti and Cr system, and the electronic temperature diagnostic using Ti and Cr as trace.

李向东。Ti、Cr类Li自电离能级、类He双电子复合的理论研究及Ti、Cr示踪元对等离子体电子温度的诊断。

The concept of equivalent rotationally rigidity is offered and the formula of rotationally rigidity is obtained.

主要做了如下几个方面的工作：对伸臂位于顶部的单层框架—筒体模型进行分析，提出了等效转动约束的概念和转动约束刚度的表达式。

Male cats normally do not need aftercare with the exception of the night after the anesthetic.

男猫通常不需要善后除了晚上的麻醉。