原子论的

On the knowledge of vibration of polyatomic molecules, it has gonethrough the change of two stages: from normal mode model to local modemodel. In present, there mainly are two methods to deal with this problem:the traditional approach, namely ab initio, based on solving Schr〓dinger equa-tions of molecular vibration, and the algrbraic approach based on group theory.

在对多原子分子振动问题的认识方面，人们经历了从简正模模型到局域模模型转变的过程，而在处理方法上目前主要有两种：基于求解薛定谔方程的从头计算法和基于群论方法的代数方法。

The main work is as follows:(1) Using perturbation theory based on semiclassical closed-orbit theory, we discuss the photoabsorption spectra of Li Rydberg atom in radio frequency field.

主要进行了以下几方面的工作：(1)在半经典闭合轨道理论的基础上，用微扰论讨论了振荡射频场中里德堡原子的吸收谱。

In this article, first, we try to generate a coarse-grained model to simplify the force characteristics and simulate the trajectory of protein dynamics.

在这篇论文中，首先我们试著建立一个粗略的模型来简化分子动力学中过多的力学因子与及原子个数来计算分子的动态轨迹然后我们将其的振动来跟x光结晶绕射所得的温度因数作比较。

Establishment of non-contact nanoscale measurement of local electrical properties (local charge and local electric field).The local electron concentration of N atom in Al_xGa_(1-x)N with different Al mole fraction were calculated and the concentration was found to increase with the increase of Al fraction.

利用第一性原理方法分别计算了不同Al组分的Al_xGa_(1-x)表面的N原子周围局域电子密度和相应的态密度，模拟不同电子密度N KVV论俄歇价电子谱主峰强度N_与次峰的N_的比值，发现了比值随电子密度的增加而线性增加的现象。

They weren't aggressive, but I yelled and threw a rock in their direction to get them off the trail and away from me, just in case.

他们没有侵略性，但我大喊，并在他们的方向扔石头让他们过的线索，远离我，以防万一。

In slot 2 in your bag put wrapping paper, quantity does not matter in this case.

在你的书包里槽2把包装纸、数量无关紧要。