Studies on the full vibrational energy spectra and potential energy curves for ground state of fluorine hydrogen HF and its cation HF+;
氟化氢分子HF及其离子HF~+基态电子态的完全振动能谱和势能曲线的精确研究
The interaction potential energy curves of Li+ and HC2n-have also been calculated.
应用密度泛函理论(DFT)和多体微扰理论(MP2),对Li+与线性碳链HC2n-形成的体系HC2nLi(n=1~8,C∞v)的平衡几何构型、谐振动频率、第一绝热电离能和结合能进行了研究并计算了HC2n-与Li+之间相互作用的势能曲线。
The different geometrical structures and potential energy curves of the molecule PuH_3 are calculated with the discrete variational method(DVM),which is based upon the density functional theory.
基于密度泛函理论的全数值自洽场计算方法———离散变分方法(DVM),数值解相对论Dirac方程,在自由的钚原子和氢原子波函数的数值基及原子能级基础上计算了PuH3分子的不同几何结构及势能曲线。
The calculated results of thepotential well parameters and the potential curve are in 8ood agreement with published experimentedda
势阶参数和势能曲线的计算结果与实验数据较好地符合。
The QCISD(T) and QCISD method is applied to scan the potential curves for X~2Πstates of SH(D) and OH(D) molecule with 6-311++G(3df,2pd) basis set,respectiv
本文前几部分在简单介绍与分子势能函数研究相关基础理论知识和计算方法的基础上,通过计算、分析比较,在n=3的Murrell-Sorbie解析势能函数的基础上,首次得到了能够正确描述双原子分子特殊势能曲线的n=9的Murrell-Sorbie解析势能函数。
The potential energy curves for the ground state of SO and ClO molecules as well as their corresponding molecular ions have been computed using the multi-reference configuration interaction(MRCI)method with aug-cc-PVXZ(X=D,T,Q)basis sets.
采用从头计算的多参考组态相互作用方法和含扩散基的3个基组aug-cc-PVXZ(X=D,T,Q)计算了SO和ClO分子及其分子离子的势能曲线,确定了平衡几何结构、离解能,并采用Feller拟合递推方法得到了基函数为无穷大计算水平值。
It is proved that the potential energy curves of N 2 molecular dimer with D 2h symmetry group have an excimer like a 1B 2g→a 1B 3u transition.
理论上通过从头算法 (abinitio)计算强相互作用的N2 分子二聚物可能存在的 6种点群构型的势能曲线 ,证明N2 分子二聚物以D2h 对称群构型存在 ,且存在电偶极允许的类准分子跃迁a1B2 g →a1B3u,并计算了a1B2 g →a1B3u 跃迁的荧光谱。
In the present paper, the potential energy curves (PECs) of the ground electronic state (1Σ+) and three low-lying excited electronic states (3Σ,1Π,3Π) of the three systems have been calculated using high-level ab initio method (the multireference configuration interaction method) by employing different basis sets.
本文利用高精度的从头计算(ab initio)方法-多参考组态相互作用方法,采用多种基函数组,计算了这三个体系基电子态(1Σ+)和三个低激发电子态(3Σ,1Π,3Π)的势能曲线。
Prediction Method for Ultimate Bearing Capacity of Squeezed Branch Pile Based on Quadratic Trend Curve
支盘桩试桩极限承载力的二次趋势曲线预估法
Design and Realization of General Trend Curve in iFIX Configuration Software
iFIX组态软件中通用趋势曲线的设计与实现
non crossing rule of potential curve
势能曲线不交叉规则
The path of an arrow is a curve.
箭的走势是一条曲线。
This potential curve crosses a potential curve α'.
这条势能曲线和另一条势能曲线α′相交。
a trend derived from or as if from such a graph.
从曲线图上或似乎从曲线图上呈现出的趋势.
The index tendency of Shenzhen and Shanghai stock market predicts the curve graph in 2001
2001年深沪两市指数走势预测曲线图
Graham-Schaefer equilibrium production curve
格雷厄姆-谢弗均势产量曲线
Study of the Potential Energy Curve and Spectrum of the Kr-Xe Dimer
Kr-Xe体系势能曲线和光谱研究
3-D Surface. Shows trends in values across two dimensions in a continuous curve.
三维曲面图。在连续曲面上跨两维显示数值的趋势线
The curve in Fig. 35-6(b)shows the regions in which each process is dominant.
图35-6（b）中的曲线表明各个过程占优势的范围。
A Note on a Priori Estimate of Double Layer Potential for Boundary Curves
关于双层热势对边界曲线的先验估计的注记
Theoretic Studies on the Potential Energy Curves of Some Hydride Diatomic Molecules;
氢化物双原子分子势能曲线的理论研究
Static Life Table and Survival Curve of Dominant Populations of Tianma Mountain in Xinyi;
信宜天马山优势种群的静态生命表及存活曲线
Study of Structure and Potential Energy Curve for Ground State of ScF;
ScF分子结构、(X~1∑~+)态势能曲线和光谱常数研究
An Alternative Curve Analyzing Method of Stock;
关于股票价格走势的一种曲线分析新方法
Knowledge sharing, Learning curve and knowledge advantage of nations;
企业知识分享 学习曲线与国家知识优势
The Application of Curve Tendency Calculating Method in the Insurance Business of ShenZhen City;
曲线趋势预测法在深圳市保险业预测中的应用