Potential energy curve

An analysis and numerical simulation for movement track according to the effective potential energy curve

利用有效势能曲线对轨迹的分析与数值模拟

Application of 1-dimension potential energy curve

一维势能曲线的应用

The potential energy curve for the body - centred cubic structure of H

H9的体心立方结构及能量计算

The potential energy curve for the square structure of h_4

H4体系的正方形结构及能量的计算

Study of Structure and Potential Energy Curve for Ground State X ~ 1 Σ ~ + of LaF

laf分子结构与基态x~1∑~+势能曲线研究

It is founded the knowledge receiver 's knowledge potential energy curve is made up of S type rise curve .

发现知识接收者的知识势能变化曲线主要是由S型增长曲线所构成。

Using potential energy curve , one resonance oscillation with concise , simple and rememberable characteristics is discussed .

用势能曲线讨论一维谐振动，具有简明、生动、易记等特点，可在教学中介绍给学生。

We have also explored the dependence of dissociation mechanism on charge distribution and potential energy curve of broken bond .

探讨了解离机理与分子的电荷分布和断裂键的势能曲线之间的关系。

Each potential energy curve was expressed by the modified Hulbert-Hirschfelder function in the appropriate region of nuclear distance .

在一定的核间距范围内，用修正的Hulbert-Hirschfelder函数拟合了每条势能曲线。

The samples are generated with Voronoi cell method . The radius distribution function ( RDF ), common neighbor analysis method ( CNA ), nanocrystalline section and potential energy curve are used to analysis the simulation process .

研究样品是由Voronoi几何方法构建的，模拟过程用到了径向分布函数（RDF）、键对分析技术（CNA）、晶体截面图以及能量等分析技术和方法。

The potential energy curve of MgH ~ + and the potential energy surface of Mg_2H ~ + are calculated by quantum chemical ab initio SCF MO method with STO-3G basis set .

用量子化学自洽场分子轨道从头计算方法，采用STO-3G基组计算了MgH~+，Mg2H~+离子的位能曲线与位能面；

In the present paper , the square structure of H4 and its energy curve have been studied and calculated by the CHANNEL-COUPLING METHOD , and based on the studying and calculation , the potential energy curve of it was obtained .

本文用通道耦合计算方法对H4体系的正方形结构及能量进行计算和研究，得到了以正方形边长R为变量的能量曲线。

For speeding up and time-saving in the calculation of potential energy curve using quantum chemical Ab initio method some efficient algorithm techniques are reported taken the systems Zn_2 ~ + and Zn_2 ~ ( 32 + ) as an example .

本文以Zn2~+与Zn2~（2+）体系势能曲线从头计算法研究为例，探讨了提高计算速度的若干有效算法。

It is approached that potential energy , potential curve and the differentiation of potential energy function were used to judge whether a subject was in balance and the stability of its balance .

主要探讨了如何应用势能函数和势能曲线以及势能函数的微分来判断刚体是否处于平衡和平衡的稳定性。

In this paper , potential energy model between H_2 and carbon atom was built with Lennard-Jones potential energy by using molecular dynamics , and the potential energy curve between hydrogen molecules and carbon nanotube was computed .

本文从Lennard-Jones势出发，建立了H2分子与C原子之间的作用势能模型，借助于分子动力学（MD）方法，模拟计算了H2分子与管的作用势能曲线。