轨道计算

And from the development of automatic block both at home and abroad, the frequency type automatic block and cab signal seem to be the best.

从满足轨道电路的四条基本要求出发，作者提出使用不同信号周率时的比较标准和计算公式，列出计算结果和曲线，说明频率式自动闭塞和机车信号采用亚音频的周率范围最为合宜。

So we can use ab initio method and DFT to describe electronic structure of molecule and atomic group. Using Dewar,Chatt, and Duncansons model can count out the interaction energy between molecular orbit and metal state.

我们利用从头计算法和密度泛函方法描述分子以及原子团簇的电子结构，采用Dewar，Chatt，和Duncanson模型可计算出分子轨道与金属态的相互作用能。

When to get the coefficients of polynomial directly,the ill-conditioned matrix may be produced and effect the precision of result.Using orthogonal polynomial can avoid this problem.This paper introduces 4 orthogonal polynomial.In our discussion,it is proposed to use Chebyshev polynomial and Legendre polynomial,they are easier to sa...

讨论4种常用正交多项式在拟合卫星轨道与时间函数时的适用性；通过计算实例说明利用切比雪夫多项式和勒让德多项式做数据拟合时具有很高的精度；分析得出评定多项式拟合数据精度的适用阶数，实际应用中可降低工作量，提高计算效率；最后讨论同一多项式阶数下不同历元数对拟合结果的影响。

Through adopting frequency-response functions and railway track irregularity PSD, methods and models are optimized. The speed of simulation is enhanced with fast Fourier transformation.

通过引入频响函数及轨道不平顺谱优化了列车荷载数值算法及计算模型，并在数值计算中采用傅里叶快速数值算法，提高列车荷载的模拟的效率和可靠性。

This thesis is based on former studies made by our team. Combining with practical conditions, the thesis selects proper basis sets. Applicable and credible quantum chemical calculation methods were adopted to calculate structural optimization, net atomic charge, orbit energy, etc. for a series of compounds against parasite fasciola hepatica according to quantum chemistry theory.

本论文在课题组以前的研究工作基础上，选取应用性好、可靠性强的量子化学计算方法，并结合实际情况选择合适的基组，从量子化学理论角度出发，对于合成的抗肝片吸虫系列化合物进行了结构优化、原子净电荷、前线轨道分布等量化计算。

Based on an amendment of ionization potential in hydrogen-like ions in terms of the theory of relativity and interaction of electron spin-orbit, we take into account the effect of the nuclear volume and the nuclear mass for the ionization potential.

在类氢离子电子束缚能一级相对论及电子自旋－轨道作用修正的基础上，考虑到原子核的质量效应及体积效应，计算了类氢离子的电离能，计算结果与文献提供的实验数据相符合，弥补了其他方法的不足。

The molecular radius and molar volume in gas, the dipole moment in gas, water and methanol, the sum of negative Mülliken charges and the frontier molecular orbital were also calculated at the same level.

在气相条件下计算了分子的半径及分子的体积，并在气相、水和甲醇介质中计算了分子的偶极矩、分子中原子的Mülliken电荷、分子的前线轨道。

Total electron energy and dipole moment of water molecular calculated are consistent with experiment quite well.

计算多粒子体系的电偶极矩时，根据最强化学键原理可采用有节面的精确类氢原子轨道为基函数，而不用径向光滑化的STO和GTO，因此不需作自洽计算。

The temperature gradient occurs imperatively and then influences to the image quality and resolution of the space camera. Based on the theory of optical wavefront error and combining the engineering practice, the thermal optical evaluation has been done to the optical window with non symmetric temperature field. The RMS wavefront errors of the optical window have been calculated on each typical position in orbit cycle.

文中结合工程实际，以光学波像差的基本理论为基础对空间相机光学窗口的非轴对称温度场进行了热光学评价，编程计算了空间相机光学窗口在一个轨道周期内各典型位置处的均方根波像差，并把计算结果与美国"天空实验室"光学窗口的相应数据进行比较，以验证本文热光学分析的合理性、正确性。

The analysis predicts the oscillations of the energy gap, Eg, with tube length as well as the square of the module of wave function ｜φ｜2 along the tube axis for the highest occupied molecular orbital state and the lowest unoccupied molecular orbital state.

此方法计算得到的波函数模的平方与利用四轨道紧束缚方法计算碳纳米管体系所得的结果，在形状以及量值方面吻合得很好。

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