轨道计算

It also calculates theoretically the minimal time interval between two trains in quasi-moving-block signaling system and recommends approximate values for the length of coded digit track circuit.

在此基础上，针对当前应用广泛的基于数字轨道电路的准移动闭塞ATC系统进行了重点分析，详细讨论了数字轨道电路的原理、准移动闭塞系统的列控方式等内容，并对准移动闭塞下的最小列车追踪间隔时间进行了理论计算和分析，给出了数字轨道电路长度的推荐值。

The method incorporates dynamic correlation by use of CI to improve the energetics after a VBSCF calculation.

CI计算中空轨道的选择和组态函数的构造都是基于定域轨道的，计算结果保持了价键方法的特点。

Choosing Huzigou as the experimental site, the elevation, azimuth, hour angle and so on of the surrounding undulating terrain was measured. The solar visual orbit map was developed and the solar visual orbit equation was applied to calculate the solar elevation angle of morning shelter and dark shelter and the sunshine hours.

方法］选择户子沟为试验点，实地测量周围起伏地形的仰角、方位角、时角等，绘制太阳视轨道图，应用太阳视轨道方程，计算出晨蔽、昏蔽太阳高度角，进而计算出日照时数。

The method of self-consistent field of the intermediate neglect of differential overlaphas been used in the calculations of the binuclear cluster, trinuclear unit of hexanuclear clusterand octanuclear clusters. The results are described as follows: The high-lying MO's of thetrinunclear and binuclear cluster are mostly composed of d-orbitals of the metal cores, and areconsidered as M-M bonding orbitals.

应用INDO／S方法对二核簇合物、六核簇合物中的三核片断和八核簇合物进行了计算，结果表明，二核簇合物与三核簇合物的前线占有轨道主要是由金属簇芯的d轨道组成，是M-M成键轨道。

The completely diagonalized Hamiltonian matrixes of order 120 of 3d3/3d7 ions configuration in the trigonal symmetry have been established by irreducible representation method and group theory,taking into account spin-orbit interaction and spin-spin interaction.The ground-state energy levels,the zero-splitting parameter and Jahn-Teller effect of ruby crystal were calculated with the matrixes.

应用不可约张量方法和群的理论构造了三角对称晶场中考虑自旋-轨道相互作用，自旋-自旋相互作用的3d3/3d7离子的可完全对角化的120阶微扰哈密顿矩阵，利用该矩阵计算了红宝石晶体的基态能级、零场分裂参量和Jahn-Teller效应，研究了自旋-轨道的自旋二重态对基态能级的贡献，证明其二重态对基态能级的贡献是不可忽略的，理论计算值与实验值相符合。

For the isobutane, the detail information of the total energy, dipole momentum, orbital energy, and momentum distribution were obtained by carrying out theoretical calculation and experimental data analysis.

通过对异丁烷分子的理论计算和实验数据分析，获得了该分子基态总能、偶极矩、各价轨道的束缚能、以及各价轨道的电子动量谱等详细信息，理论计算与实验结果符合很好。

Kinds of Schiff base derivatives of 2-N-benzylidene Furanmethanamine have been designed. The Net Charges of main atoms, bond lengths, bond angles, dihedral angles, IR have been calculated by means of HyperChem6. 0 program. 36 kinds of Schiff base derivatives of benzylidene adenine have been designed. Also the net charges of main atoms, bond lengths, bond angles, dihedral angles, IR, the energy gap △E between HOMO and LUMO and the nonlinear second-order polarizability β have been calculated by means of HyperChem6. 0 program. The calculated results indicated that the nonlinear second-order polarizability β were up in accordance with the △E down.

设计了腺嘌呤缩苯甲醛36种衍生物，计算了这些分子的气相几何，腺嘌呤缩苯甲醛中各原子的电荷分布，最高占有轨道HOMO和最低未占有轨道LUMO的能量以及它们之间的能量差△E，同时还计算了这些分子的二阶非线性极化率β，我们发现腺嘌呤缩苯甲醛的二阶非线性光学系数与△E有近似一致的变化关系，随着△E的减小，二阶非线性光学系数有增大的趋势。

One of the opinions was to reason that the electron configuration of NO molecule is the same as that of Ol molecule based on the fact that NO is isoelectronic with O2+. In the present paper, we suggest, according to ah initio calculation results in combination with UPS, an ordering of the NO molecule orbital, i. e. 5σ being a weak bonding orbital and lying slightly higher in energy than 1π, corresponding to the case of N2 molecule. The...

本文用NO和O_2~从头计算结果以及NO的紫外光电子能谱相结合的方法说明NO的5σ轨道是弱成键轨道，5σ的轨道能稍高于1π轨道能，也就是说NO的能级次序是与N_2分子相同的；NO与O_2~+虽是等电子体，但是能级次序并不相同，因此由O_2~+的能级次序确定NO分子的电子组态是不妥的。

Starting from the four concepts of orbit energy, energy class, shielding effect and infixing effect, the author uses the two commonly applied methods of caculation orbit energy to analyse and compare 4s orbit energy and 3d orbit energy.

本文从轨道能、能级、屏蔽效应和钻穿效应这四个概念入手，运用计算轨道常见能量的两种方法进行分析和比较轨道能与 3d轨道

Research purposes:The paper gives an introduction to the additional force transfer mechanism of welded turnout on ballastless track,presents the calculation model for welded turnout on ballastless track, calculates additional force and deformation of welded turnout on ballastless track by FEM,the result is compared with ballast track.

研究目的：分析无砟轨道基础上无缝道岔的纵向力传递机理，建立无砟无缝道岔计算模型，采用有限单元法计算了无砟无缝道岔受力及变形，并与有砟轨道无缝道岔进行了对比分析，为无砟无缝道岔设计提供参考依据。

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