轨道计算

In chapter two, the basic principle of the molecular orbits ab initio and the theory of the inelastic scattering are presented.

第二章阐述了分子轨道从头算方法的基本原理和非弹性散射计算的基础理论。

At the end of this chapter, two computer programs AOGRA_SCE and CINE〓_SCE used for space charge effect calculation are briefly introduced. In Chapter 3, the different injection methods for sector focused cyclotron and the different types of inflectors for axial injection are briefly described firstly. Then the reference particle's orbit and the optical property in spiral inflector, the most common-used injection method, are studied in detail.

在本章的第4节中，介绍了两台强流扇聚焦回旋加速器（50MeV-6mA H〓超导扇聚焦回旋加速器和17MeV-2mA H〓扇聚焦回旋加速器）的具体设计步骤和计算结果，讨论了这两台扇聚焦回旋加速器中加速轨道和相空间的传输以及空间电荷效应的影响。

The photoionization efficiency curve of CH 3NH 2 + ion indicates that the ionization energy...

CH3 NH2 分子的电离势为 9 16± 0 0 1eV ，和分子轨道能量计算的理论值符合得非常好，并获得CH3 NH2+和CH2 NH2+的生成热分别为 86 0± 0 5kJ mol和 75 4 1kJ mol。

This is used to calculate the astronomical elements Kepler track procedures used MAtlab prepared, Welcome oh.

这是用于计算天文中的开普勒轨道元素的程序，用MAtlab编写的，欢迎使用哦。

The coordination effect between lariat crown ether and lariat azacrown ether with alkali metal ions has been analyzed and compared according to the obtained parameters.

运用得到的量子化学计算参数，如前线轨道HOMO能级，LUMO能级等，对碳基臂式冠醚与氮基臂式冠醚与碱金属离子的配位能力进行了比较和分析，结果表明氮基臂式冠醚分子B对碱金属的配位能力要大于碳基臂式冠醚分子A。

We calculate the linear responses of the spin density and spin current density to the SU(2) external fields.

我们计算了具有Rashba或Dresselhaus自旋轨道耦合的系统中自旋密度及自旋流密度对SU(2)外场的线性响应。

Crystal lattice constants are close to other experiment results. Three kinds of chemical bonds exist among Mg and B atoms, between magnesium and boride is ionic bond and metallic bond is the predominant interaction in the layer formed by magnesium atoms. A strong covalent bond in the form of sp2 hybrid between boride atoms is the most important factors which can affect the transition temperature of MgB2. Population analysis clearly shows that electrons are transferred from Mg to B, as a result, the electron-phonon coupling in the layer of B is very strong.

规范保守赝势的计算结果表明，晶格常数与实验值误差在很小的范围内，分析了引起MgB2(001)面结构超导转变时电子浓度和偏态密度的变化情况，发现构成该超导体结构的成键有3种，着重从结构的电子浓度变化分析了其超导特性，六角蜂窝状结构中硼原子间相互作用为sp2杂化的共价键，镁原子和硼原子之间是离子键结合，镁原子层是金属键结合，镁原子的价电子部分转移到硼原子的pz轨道，部分电子为镁原子层共用。

They are of good dynamic characteristics and the monorail train is of fairly well comfort performance.

对比分析动力试验结果及理论计算结果，并参照铁路桥梁相关检定规范，结果表明轨道梁系统具有良好的结构强度和刚度，动力性能良好，单轨列车则具有良好行车舒适性。

A global gravity field recovery based on energy balance approach using CHAMP kinematic orbits is presented. A method combining the Newton's numerical differential formula and the remove_restore procedure for determining kinematic velocities is developed.

介绍了利用CHAMP几何法轨道恢复地球重力场模型的基本原理和算法，提出了基于牛顿数值微分公式并辅助移去-恢复方法计算卫星速度的算法。

In addition, the trajectories of oil droplets entering the hydrocyclone were computed by using the Particle Obit model. Thereby the separation efficiency of the hydrocyclone can be obtained.

另外，本文用颗粒轨道模型计算了进入水力旋流器的油滴颗粒运动轨迹，在此基础上，得出了水力旋流器的分离效率曲线。

As she looked at Warrington's manly face, and dark, melancholy eyes, she had settled in her mind that he must have been the victim of an unhappy attachment.

每逢看到沃林顿那刚毅的脸，那乌黑、忧郁的眼睛，她便会相信，他一定作过不幸的爱情的受害者。

Maybe they'll disappear into a pothole.

也许他们将在壶穴里消失