电子能级

The expansion for matrix involved in different Landau levels.

在求解时考虑了对电子在平面内的不同朗道能级的展开。

The geometric structure, frontier orbital coefficients and frontier electron densities of the important lubricating oil additive Zinc dialkydithophosphate are investigated by using ab initio method.

采用量子化学从头算法，全优化计算了二烷基二硫代磷酸锌化合物的平衡几何构型和成键特徵，用前线轨道能级和组成以及前线电子密度等参数，探讨了ZDDP的润滑机理。

Shifts of the highest occupied molecular orbital and the secondary electron cutoff of the PES spectrum upon the adhesion of the Alq layer have been observed, revealing the existence of the interface dipole. Results of angle-resolved X-ray photoelectron spectroscopic measurements confirm that the C_(17)H_(35)COONa molecules tend to arrange themselves in an amphiphilic array at the interface.

通过紫外光电子能谱得到了界面处的电子结构与能级排布，并观测到了界面偶极层的存在；同时利用角分辨的X射线光电子能谱研究了硬脂酸钠分子在Alq表面上沉积时，分子排布的取向，结合分子结构，解释了有机发光器件中在金属电极和Alq间加入一薄层硬脂酸钠后性能得到有效改善这一现象。

In the incidental light, the transition matrix element, transition probability and frequency, the selection rule, the energy level structure are discussed step by step.

讨论了光场作用下，量子点中电子的跃迁几率、跃迁频率、选择定则和能级结构，并给出了吸收系数α的解析表达式和相应的吸收曲线。

The excited-state intramolecular proton transfer tautomerism reaction of 6-methyl-4-hydroxy pyri-midine monomers and dimmers was investigated by the ab initio method with the self-consistent reaction field with Tomas's polarized continuum mode and CIS theories at HF level on the basis of 6-311+G* and 6-31G basis set. By studying the potential energy surface, it was found that the monomer's ground-state proton transfer process together with the excited-state proton transfer process is a molecular system of four energy level, but dimmers were not, which can be used to explain the fact that UV-visible absorption and fluorescence spectra of monomer and dimers all corresponded to quinoid.

采用 ab initio HF理论的组态相关CIS方法和连续溶剂模型PCM，分别在6-311+G*和6-31G水平上研究了6-甲基-4-羟基嘧啶单体及二聚体激发态质子转移的异构化反应；对其反应势能面的研究发现，单体基态和激发态的异构化反应一起可以形成四能级的分子电子体系，而二聚体的却不能，由此解释了单体和二聚体的紫外吸收光谱和荧光发射光谱均对应于酮式构型的原因。

To conduct such research a new experimental apparatus was established.With this setup the two-photon excitation spectra of Barium and one-photonexcitation spectra of Strontium Rydberg atoms were recorded and identified.The Stark spectra of Strontium atoms showed the "l-mixing" and "n-mixing"features. By changing laser wavelength and external electric field strengthsimultaneously, the scaled-energy spectra of Strontium 〓 Rydberg atomsat constant scaled-energy ε=-3.00,-2.50 and -1.88 were recorded for thefirst time. The experimental spectra were Fourier transformed and yielded therecurrence spectra.

主要工作包括：建立了一套用于外电场原子光谱研究的原子束实验装置；获得了Ba原子的双光子、Sr原子的单光子零场激发谱，并对各谱线进行了标识；进行了Sr原子电场Stark效应研究，观察到了低场时能级角量子数"l"混合区及高场时主量子数"n"混合区的存在；首次获得了Sr原子在标度能量ε=-3.00、-2.50及-1.88时〓高Rydberg态电场标度能谱及傅立叶变换后的电子回归谱。

Using the semiclassical method of a two-level electron interaction with field under the assumptions of free-electron and weak field.

得到了在自由电子和弱场假设下两能级电子与场相互作用的波函数表达式。

Electronic energy and wave function of three-layer spherical nanometric system in homogeneous electric field is solved, the influence of applied field and sample size to the shift of Stark energy level is discussed.

求出均匀外电场作用下三层球状纳米系统电子的能量和波函数，讨论了外电场和样品线度对斯塔克能级移动的影响

The perturbation formulas of the electron paramagnetic resonance parameters g factors g(subscript //), g(subscript ⊥) and the hyperfine structure constants A(subscript //), A(subscript ⊥) are established for a 3d(superscript 1) ion in tetragonally distorted octahedra, by including the contributions from the p-and s-orbitals as well as the spin-orbit coupling of the ligands based on the cluster approach.

采用离子簇模型，通过分析配体轨道和旋轨耦合作用的贡献，建立了改进的3d1离子在四角畸变八面体中电子顺磁共振参量的微扰公式，能级间距可由重叠模型和局部结构数据给出。

Based on the thermionic emission theory, a method to extract parameters of Si SBD is given in this study. Using this model, we tested the characteristics of devices and extracted the parameters of two kinds of samples. The ideality factor is 1.01 and 2.13 respectively. The zero-field barrier height is 0.70eV and 0.72eV. The surface state density is 5.5×10~(15)cm~(-2)eV~(-1) and 4.3×10~(12)cm~(-2)eV~(-1). The interface oxide capacitance is 9.0×10~(-4)F·cm~(-2) and 5.4×10~(-6)F·cm~(-2). The neutral level of the surface states is 0.81eV and 1.1eV. The reverse breakdown voltage is 101V and 56V.

本研究在热电子发射模型的基础上，建立一种提取Si基SBD器件特性参数的理论模型，基于这个模型，对两种样品的性能进行测试，并计算出退火和未退火样品的理想因子分别为1.01和2.13、零电场势垒高度分别为0.70eV和0.72eV、表面态浓度分别为5.5×10~(15)cm~(-2)eV~(-1)和4.3×10~(12)cm~(-2)eV~(-1)、界面层电容分别为9.0×10~(-4)F·cm~(-2)和5.4×10~(-6)F·cm~(-2)、表面态中性能级为0.81eV和1.1eV、反向击穿电压101V和56V。

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。