查询词典 electronic energy level

With quantum chemical calculation, all the information about electronic and spatial structures of specific compounds can be obtained, including molecular orbital energy level, atomic charge density, polarizability, and electrostatic charge of molecules.

通过对化合物进行量子化学计算，可以获得有关分子的电子结构和立体结构信息，如分子轨道能级、原子的电荷密度、极化率以及分子的静电荷等。

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。

In addition, some modifications on several computational methods are also presented. Using LMTO method the electronic structure of several systems are studied, and some results are obtained. They are: The ideal Nb (100) surface has three surface states, the multi-layer relaxed surface has two surface states. The surface energy of the ideal surface is higher than that of the relaxed surface, that means that the multi-layer relaxed surface is more stable than the former one, which supports the LEED results. The mono-layer relaxed Ag (111) surface is the most stable one among several" stable surface models"presented by several researchers. The surface energy of Ag (111) surface is higher than that of surface Ag (001), which supports some experimental results such as different reaction rate at different surface orientations for the same material. The surafce states of Si (111) surface not only locate near the Fermi level, but also in the valence band, which agrees well with Cohen's conclusion. Si (111)-H is an effective model for analysing the surface states and H adsorbed on the back surface is a good method for improving the convincingness of the results obtained on thinner slab models. The surface stability depends on three different kinds of MoSi〓(001) surfaces, the surface with mono-layer Si is the most stable one, and the surface with Mo at the first layer is the most unstable one among them. These are consistant with the Kemoda's experimental results. The valence bands of clean or K adsorbed CdTe (111) surface agrees well with the synchrotron radiation studies. The surface of CdTe (111) consists of four kinds of surface models which show different surface electronic structures and different surface structure stabilities. The conclusion agrees well with Wu's experimental work. The different absorbed alkali metals on the CdTe (111) surface give different adsorption characteristics which have relations not only with the valence electrons, but also with the core ones of the alkali metals. The electonic structures of Si-C alloys are different from that of Si-Ge alloys, and the energy band gaps of Si-C alloys do not increase linearly with Carbon concentration, our conclusion supports Alexander's results, but conflicts with Soref's one.

现分述如下： LMTO方法及其应用方面：1）通过对Nb（100）表面电子态分析发现清洁理想表面有三个表面态，多层弛豫表面有两个表面态；表面能大小说明多层弛豫表面更稳定，支持了LEED结果。2）通过对采用不同方法获得的几种不同Ag（111）表面稳定结构的表面能计算分析，给出了单层弛豫表面为Ag（111）表面的最稳定结构；从Ag（111）单层弛豫表面和Ag（001）表面的表面能比较，发现了Ag（001）表面表面能要比Ag（111）小的，表明了同种物质不同表面取向将表现出不同物理、化学性质，这是与实验中得出的结论是吻合的，3）通过对Si（111）表面态分析，不仅发现了Si（111）表面不仅具有居于费米能级附近的悬挂键所对应的表面态，而且还有很多表面态位于价带能量范围内，与Cohen等结果一致，H饱和slab模型背表面相当于增加了slab层的厚度，是一有效的变相增加slab层厚的方法，弛豫表面较清洁理想表面价带谱们低能端的少许移动，预示着总能降低，说明弛豫表面较清洁理想表面稳定。4）MoSi〓具有三种表面，从费米能级上态密度值大小得到单层Si表面最稳定，Mo原子为表层原子的表面最不稳定，双层Si原子表面居中的结论，这与Kemoda等人实验结果是一致的。5）通过对CdTe（111）表面表面电子态、表面结构稳定性及表面H、碱金属吸附的电子结构系列研究，不仅得出了CdTe（111）清洁及碱金属K吸附价带谱与同步辐射光电子谱相吻合的结果，而且发现了CdTe（111）表面具有四类不同原子近邻特征，表现出四类不同的表面结构及电子结构特征：不同表面态分布、不同的表面结构稳定性（表层原子与次层原子成三键有一悬挂键的表面要比表层原子与次层原子成一键有三悬挂键稳定（与Wu等人实验结果一致））、不同的H吸附特性。

Metals on the absorption of laser light energy to the metal actually inside the transmission, once the incident laser photon to metal crystals, photon elastic collision with electrons, photons transfer their energy to the electronics, from the low-energy level of electronic transitions to the high-energy level.

金属对激光的吸收实际上也是光能向金属内的传输，一旦激光光子入射到金属晶体，光子就与电子发生弹性碰撞，光子将其能量传递给电子，使电子由原来的低能级跃迁到高能级。

Based on the free electronic band model, we study the relationship between average bond energy E m and Fermi level E F in face centered cubic crystal, body centered cubic crystal and hexagonal closed packed structure crystal.

根据半导体自由电子能带模型，文中在面心立方晶体、体心立方晶体和 6角密堆积晶体中研究自由电子能带的平均键能 Em 和费米能级 EF 的关系，并得出自由电子能带的平均键能 Em 相当于费米能级 EF 的研究结果。

Among them very multinomial and direct or indirect design reachs relevant industry to sensor, detailed situation is as follows: The computer reachs peripheral equipment: Hold pattern recognition of GPS receiver, graph and processing system; Microelectronics and photoelectron yuan parts of an apparatus: Cadmium of parts of an apparatus of coupling of CCD photoelectricity carry on one's shoulder, tellurium is mercuric , infra-red detector; CMOS image sensor; Communication equipment reachs a product: Smooth communication is metric with the instrument that monitor; Civil spacecraft reachs ground facilities: Spacecraft is lukewarm control a product; Automation machinery reachs device: Industrial robot and intelligent robot; Electromechanical key foundation: Intelligent air cylinder, intelligence changes model carapace breaker (voltage 380V, 660V, voltaic 1000A), prevent adopt device of dead apply the brake , the electron controls vehicle of the automatic gear-box, dynamoelectric steering gear that help strength, car to carry diagnostic system, gasoline engine electronic-controlled engine of device, derv is electronic-controlled car of device, alternative fuel changes device, car; Instrument appearance reachs a system: GPS car fixed position, monitoring calls the police attemper system, colliery installs all inspection to measure general management system, hydroelectric station to monitor control system, automatic cruise automatically to control a system (the car is auxiliary drive system), the electron collects fees administrative system (ceaseless car electron pays cost the system), two-phase; New-style medical apparatus and instruments: Medical sensor; Inorganic metalloid material: Component of the pottery and porcelain that suppress report, lukewarm characteristic thermal resistor ; New-style the sources of energy reachs equipment: The solar battery reachs package; The environment monitors an instrument: Monitor appearance, CO automatically to monitor appearance, automatic acid rain automatically sampler and determine appearance, soot, dust is automatic sampler and determine appearance, flue gas is automatic sampler and determine steam of end of appearance, car determines automatically appearance, portable poisonous and harmful gas determines quality of air of type of appearance, flow; The exploration of the sources of energy and mineral products resource develops device: MWD is followed get oil of logging instrument, numerical control monitor below well of deep well logging instrument, colliery reach calamity to forecast; The project measures and equipment of earthly physics observation: Project acceleration measures system, much general to strap weather radar (use be concerned with or double polarization technology), intelligence atmosphere sensor (contain lukewarm, press, irradiation level of wet, wind, precipitation, dew point, sun), personal computer control is automatic and perpendicular artesian well system , marine atmosphere; 1 2 of on one page issues one page

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Because of the nondirectional property of ionic bond and the fully delocalized property of pi electrons on carbon layers, translation will not change the electronic structure of carbon layers, resulting in that A-GIC and AE-GIC hare quite good lubrication as well. The electrons come from metals mainly transfer to the delocalized pi orbitals of carbon layers, and the increase of delocalized electrons will make metal graphite intercalation compound more electro-conductive than graphite itself. Because ionic bond between metals and carbon layers is weaker and its lattice energy is much less than that of typical NaCl crystal, so metals could be left from interlayers. The Mulliken populations of C-C in intercalation compounds are smaller than that of graphite, and the HOMO energy level of GIC is higher than that of graphite too. These Lead to that GIC will easier be oxidized.

由于离子键没有方向性，又由于碳层中的π电子是充分离域的，所以碳层不会由于平移而改变其电子结构，金属石墨层间化合物仍具有很好的润滑性；金属失去的电子主要转移到碳层的离域π轨道中，碳层离域电子增多使金属石墨层间化合物的导电性比石墨增强；金属与碳层间的离子键强度比较弱，其晶格能远小于典型的离子晶体，因而金属易从石墨层中脱出；金属石墨层间化合物中的C-C间Mulliken布居值小于石墨中C-C间的值，且金属石墨层间化合物的HOMO能级也高于石墨的HOMO能级，所以石墨层间化合物中的碳原子较石墨更易被氧化。

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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

Aim To study the structure of energy level, electronic cooperation and the Auger width of Li like system O +5 s triply excited state.

目的研究类锂O+5的三激发态能级结构、电子间的关联效应以及自离化宽度。

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。