电子能级

In this paper, after taking over coupling effect between electronic spin and orbital angular momentum, to revise the formula of electronic angular momentum in Bohr's theory, and electronic speed formula is obtained in a single-electron system, and to correct the energy level formula of atomic orbit in Schr? dinger's method by relativistic effect, the theoretical improving formula is built for spectrum fine splitting calculation, the calculated values are in good agreement with experimental ones, and reflect changing law of spectrum fine splitting values.

本文在考虑了电子的自旋角动量与轨道角动量的耦合作用后，通过对Bohr理论中的电子运动角动量的修改，推导出单电子体系的电子速度公式，结合对Schrdinger的原子轨道能级表达式相对论效应修正，从而得出本文的氢及类氢离子光谱精细结构值的理论计算公式，应用此改进公式，所得的计算值与实验观测值符合得很好，计算结果也反映了氢及类氢离子光谱精细结构数据变化的规律性。

Since the High-Lying Vibrational excited levels and dissociate behavior of gas diatomic molecules: H2, O2, N2 and CO are very important in actual studies and applications, using the algebra method and the algebra energy method to obtained full vibrational energy spectra {E} and molecular dissociation energies are base on limited experiment energy level {E} in this paper. The study result has provided the important high vibrational excited state energy level and the reliable dissociation energy data for the research partial dissociating gas physics and the chemical property.

鉴于气体双原子分子H2、O2、N2和CO的高振动激发态能级和离解行为在实际研究中的重要性，本文应用代数方法和代数能量方法，以部分气体双原子分子有限的实验能级［E］为基础，获得了H2-X1Σ、O2-A^3Σ、O2-c1Σ、N2-X1Σ和CO-X^1Σ共5个电子态的完全振动能谱｛E｝及其分子的离解能，为研究部分离解气体的物理和化学性质提供了重要的高振动激发态能级和可幸的离解能数据。

Within the WBEPM theory,the transition probabilities and oscillator strengths of some heavier and light atoms and ions are investigated.We also used the conceptions of spectrum-level-like series and iso-spectrum-level series to study the energy levels of some atoms.Based on the previous work,we used double generalized Laguerre polynomial to calculate the value for the ground-state energy of He atom.

本论文在郑能武教授提出的最弱受约束电子势模型理论基础之上，对若干较重和轻原子离子的跃迁几率和振子强度作了研究；引入类光谱态能级序列的概念和等光谱态能级序列的概念研究了一些原子离子的能级性质；并在前人工作的基础上用双广义拉盖尔函数对氦原子的基态能量做了计算。

From our self-consistentcalculations,not only the DOS at Fermi level Dand the Fermi level EF butalso the 2D electron number density N2D and the subband energy E0 all showoscillatory changes with magnetic field.

自洽计算还表明，无论是费密能级处的态密度D、费密能级EF还是二维电子气浓度N2D、子能级E0都会随磁场振荡变化。

In chapter 4, by AREELS, the Generalized Oscillator Strength Density Spectra were measured in the energy region from 56 to 66eV, with the incident energy 2. 5 keV and energy resolution 80 meV, at scattering angles from 0°to 6°, corresponding to the momentum transfer K〓=0.03~2. 01 a. u. The Fano profile parameters f〓 and q for the optically allowed transition 〓(0, 1)〓P°and the optically forbidden transitions 〓(1, 0)〓S〓and 〓(1, 0)〓D〓 were obtained as a function of K〓. With the hyperspherical coordinate wavefunctions, the dynamical correlation are discussed qualitatively. So, a new experimental way to study dynamical electron correlation effect is opened.In chapter 5, the widely used R-matrix theory was introduced. Then, the GOSDS for the optically allowed excitation series (1s〓)〓S〓→〓(0, 1)〓P°(n=2-4) were calculated by this method, and the Fano profile parameters f〓 and q were obtained sequently. So the electron correlation effect can be described by these parameters quantitatively, and the theoretical results were compared with our AREELS experimental results.

在第四章中，实验上，同样使用角分辨的高能量分辨快电子能量损失谱仪，在2.5keV电子入射能量和80meV的能量分辨下，测量了0°到6°散射角下的He原子双电子激发态在56~66eV的广义振子强度密度谱，这种情况，0°~6°对应的动量转移范围K〓=0.03~2.01a.u。，得到了光学允许跃迁的双电子激发态〓（0，1）〓P〓和光学禁戒跃迁的双电子激发态〓（1，0）〓S〓、〓（1，0）〓D〓的Fano线形参数f〓，q等随动量转移变化的曲线；观测到了几个强度很弱、能级很窄的光学允许和禁戒跃迁双电子激发态，用前人准确的理论结果进行了标识；通过比较弱共振〓（1，0）〓S〓和〓（-1，0）〓S〓的强度随动量转移K〓的变化规律，结合超球坐标理论计算的波函数，定性地阐述了在电子碰撞散射过程中它们各自不同的动力学电子关联效应，发展了一套在实验上研究电子关联效应的新方法。

The results showed that the LUMO values are -3.19eV for organic oxadiazole,-3.16eV for macromolecular oxadiazole and -3.21eV for Poly(1,3,4-oxadiazole) and their HOMO values are all under -6.0eV, hinting that they show good hole-blocking characteristics.

利用循环伏安法测定了三种不同类型衍生物的带隙和HOMO、LUMO能级，噁二唑类小分子、大分子、聚合物衍生物的LUMO能级分别为-3.19eV、-3.16eV、-3.21eV，有利于电子的注入，三种噁二唑衍生物的HOMO能级都在-6.0eV以下，对空穴也有很好的阻挡作用。

Using the dynamicalsymmetry and considering the off-diagonal term of rovibrational interaction, weobtained firstly the expression of rotational energy levels similarly to thecommonly used term value equation in spectrum analysis. By using the formula,the rotational levels of different vibrational transition for linear triatomic molecules〓, HCN, OCS,〓 and its isotope species, which are on the electronic groundstate and the first electronic excited state, were analyzed. The obtained rotationalconstants accord with the ones from other calculation methods very well.

文章还利用动力学对称性并考虑到振转相互作用算符的非对角项，首次得到了类似于光谱分析计算中常用的项值方程的振动能级的表达式，并用其计算了〓、OCS、〓、HCN等线形分子在电子基态和第一电子激发态若干振动跃迁的转动能级，所得转动常数与其它计算方法所得值符合得相当好。

Secondly, the energy band structure of codoped-TiO2 shows that an acceptor level and a donor level present inside the band gap, and an electron on the donor level passivates a hole on the acceptor level, so the systems still keep semiconductor character and enhance the separation of electron-hole pairs excited by photo irradiation.

另外， V： N共掺杂TiO2的能带结构表明：导带底下方施主杂质能级上的一个电子刚好补偿价带顶上方受主杂质能级上的一个空穴，使掺杂后TiO2材料表现出半导体的显著特征，这有利于电子—空穴对的分离，提高量子产率。

There are two important mechanisms for increasing laser power afteradding hydrogen:(1)The gas temperature and CuBr vapor density at the center of lasertube are reduced, it decreases collision energy depletion of electron and leads to increaseelectron temprature;(2)Electron density increases during the pulse, the skin effect andthe" black center" of laser are improved.

同时，脉冲期间的电子密度增加，电子密度的趋肤效应减弱，激光的&黑心&现象被改善。2存在一个最佳充氢范围，其原因是：充氢后，随着气体温度的进一步降低，电子温度和铜原子数密度也将下降，它们与使电子温度升高的因素相互制约，抑制了激光能级粒子数的增长。

A number of v=0~57 vibration levels were determined and assigned. The levels cover more than 99% of the potential well depth of the state. No evident autoionization was found related to the levels belonging to the 13 g- state above the ionization threshold, implying the distinct character of the doubly excited valence state from the Rydberg states.

并发现13 g-态能级即使超过电离限时亦无明显的自电离倾向，反映了双电子激发态不同于里德堡态的独特性质。13 g-态是碱金属双原子分子电离限以下唯一的3 g-对称性的态和电离限下唯一较纯的双电子激发态，这些结果为分子结构和量子化学的定量研究提供了重要的信息；（2）通过检测Na 3d 3p原子荧光，观察到Na2分子的33 g和43 g+态在3s+3d解离限以上的预解离能级及其转动线宽加宽等。

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。