查询词典 equilibrium

The contents comprise the classification and principle of molecular dynamics, the interatomic potential, the related finite difference technique, the choice of initial and boundary conditions, the realization and control of equilibrium ensembles, the extraction of useful information and some applications in the materials science.

综述了分子动力学模拟技术的发展，介绍了分子动力学的分类、基本原理、原子间势函数的发展及势参数的确定、相关有限差分算法、初始条件和边界条件的选取、平衡系综及其控制、感兴趣量的提取以及分子动力学模拟在材料科学中的一些应用。

Molecular dynamics ; finite difference technique ; interatomic potential ; equilibrium ensemble

分子动力学；有限差分法；原子间作用势；平衡态系综

In addition, elevating temperature was helpful to reach equilibrium for the dynamic interfacial tension.

温度升高能够加快动态界面张力的平衡。

In this paper the research reviews firstly the theory about financial development and economic growth, in which the equilibrium and mutual effect between financial development and economic growth are analyzed in three aspects: the function of financial intermedium, the structure of financial system, the research of economic growth.

本文首先回顾了经济增长理论和金融发展理论，从金融中介的功能、金融体系的结构和经济增长研究的演进等方面进行了阐述，从理论上说明了经济增长和金融发展二者之间的均衡和互动关系。

Thermal energy: Internal energy of a system in thermodynamic equilibrium by virtue of its temperature.

热能：处于热力学平衡状态的系统由于它的温度而具有的内能。

Comparison of the theoretical calculations of equilibrium internuclear separations for these states with those obtained by previous theories clearly show that the present work is in excellent agreement with experimental data.

与其它理论计算结果进行比较后得出，本文的计算结果非常接近于使用很复杂的计算方法获得的结果。

At the same time,the single-point energy scanning calculation is also made at each basis set near the equilibrium internuclear separation obtained by the geometry optimization so as to attain the more accurate result.

同时，在优化得到的平衡位置附近、于同一条件下通过精细的单点能扫描，获得了相应基组下的平衡核间距。

These comparison show that all calculation results, such as dissociation energy, equilibrium internuclear distance and rotation-vibration constants, are better agreement with experimental results than other theoretical ones.

结果表明，无论是离解能、平衡核间距还是分子的振转常数，利用九参数Murrell-Sorbie势能函数得到的结果与实验结果相比较，都明显好于其他理论结果。

Studies show that the ECMI method produces most accurate potentials for these ionic states, and that the ECMI not only obtain accurate potentials near equilibrium internuclear distance, but also generate correct potential data in the ionic asymptotic and dissociation region where other methods may fail or may give less accurate results.

将获得的ECMI势能曲线与用其他理论方法得到的势能曲线进行的比较表明，ECMI得到了这些态的最好势能，而且ECMI势不仅能获得平衡核间距附近的精确势能，还能得到其他方法往往难以得到的双原子分子离子渐进区和离解区的正确势能。

Equilibrium; mathematical programming;smootning method; convergence; interpolation problem.

中文主题词：近似问题；数学规划；光滑化方法；收敛性；插值问题。

This immediately brings us to the next part of this article: creating an output "replace function".

下面进入文章的第二部分：建立一个"缓存处理函数"。

He was elected as an International Ornithological Committee member in 2002 during the 24th IOC held in Beijing.

现为中国鸟类学会理事和WPA 专家组成员。2002年被推选为国际鸟类委员会委员。