力常数

The 1s electron cloud in hydrogen atom has the largest probability density distribution around a spherical shell with Bohr radius a 0. The author thinks the probability density distribution and electron cloud belong in fact,to statistic regularity, and imply a macro-time scale is used, therefore in hydrogen molecule the product of energy and time is far larger than Planck Constant.

氢原子中 1s电子的电子云呈球形，电子的最大几率密度分布出现在玻尔半径a0 的球壳内，认为几率密度分布及电子云属统计规律，意味着已经使用了宏观时标，这样就使氢分子体系中能量和时间的作用量远大于普郎克常数；根据电子云的交叠，用经典力学计算了基态氢分子的结构常数，获得键长、键能及力常数的表达式分别为Re=2a0 ，De=ze/4 2a0 ，k=ze/2 2a30 ，采用原子单位 a 。u 。

Bond and angle types are assigned based on (1) atom types,(2) bond lengths or bond angles in the QM optimised geometry and (3) matching force constants derived from the Hessian matrix.

键和键角类型标记，依据（1）原子类型（2）量子优化几何学中的键长或者键角（3）源于 Hessian 矩阵的合适的力常数。

The Murrell-Sorbie potential energy function curves of diatomic molecule of Au2 Cu2 Y2 AuY and AuCu have been obtained, then the spectral datum and force constants have been derived..

导出了Au_2、Cu_2、Y_2、AuY和AuCu双原子分子的Murrell-Sorbie势能函数，在此基础上推导出光谱项常数和力常数。

The fitted rms error based on the Hamiltonian with 9 parameters was 2.40 cm-1. The dissociation energy and force constant were also determined by the analytical potential energy surface.

结果表明，利用此代数Hamiltonian很好的实现了能级再现，它预测了振动总量子数达到20的全部振动能级，同时我们计算了分子的解离能与力常数。

Dissociation energy, harmonic frequency and force constant are calculated.

同时还计算了Cu2Te分子基态的离解能、力常数和振动频率。

Using Density Function Theory we receive the ground states of GaN and GaN2 are X 、X2B2 respectively.Murrell-Sorbie analytical potential energy functions of GaN have been derived by using ab initio data and the least-square fitting method, and harmonic frequency, force constant and spectroscopic data also have been calculated.

基于量子化学计算得出GaN和GaN2 基电子态及其离解极限之后，利用计算数据和最小二乘法得到了GaN 的M-S解析势能函数，并计算出各态的谐振频率、力常数和光谱数据。

Phonon spectrum throughout the Brillouin zone and the interatomic force constants are obtained using the density-functional perturbation theory by the linear response method.

在密度泛函微扰理论的框架下采用线性响应的方法得到了整个声子谱，并分析了原子间力常数。

The internuclear distances and force constants of the elementary molecules as well as of the nitrides and halides, exhibit a similar behavior

单质分子和氮化物与卤化物，其核间距与力常数都表现有相似的行为。

The method can be adopted further to measure the micro-deflective force of the micro-cantilever when in deflection and then the force constant of the micro-cantilever can be measured combining with measurement of deflective displacement.

进一步用该方法来测量微悬臂偏转时的微小偏转力，结合偏转位移的测量，测得微悬臂的力常数。

It averagesquare displacement must depend both on the forceconstants of Bi cation and the constants governingrotation of BO6 octahedra.

软模的平均平方位移同时依赖于Bi离子位移的力常数和使八面体转动的力常数。

Neither the killing of Mr Zarqawi nor any breakthrough on the political front will stop the insurgency and the fratricidal murders in their tracks.

在对危险的南部地区访问时，他斥责什叶派民兵领导人对中央集权的挑衅行为。

In fact,I've got him on the satellite mobile right now.

实际上 我们已接通卫星可视电话了