模型势

用B样条基组展开方法结合模型势计算了里德堡钠原子抗磁谱和相应的振子强度谱。

The energy spectra and oscillator strength of Rydberg sodium atoms in the uniform magnetic fields have been calculated using basis set method combined with model potential .

光学模型势（OMP）是研究核反应和结构性质的重要理论工具。

The Optical Model Potential ( OMP ) is one of the most powerful tools to investigate the nuclear reaction and the nuclear structure .

利用电子结构数据拟合H2分子的电子壳模型势函数参数

A method of fitting shell model interatomic potential for H_2 molecule from electronic structure data

计算过程中各系统的相互作用势采用改进的Buckingham模型势。

In these calculations , the modified Buckingham potential is used .

在考虑新实验数据的基础上，对n＋￣（56）Fe反应的光学模型势参数进行了全面仔细的调节，推荐出了一套较好的势参数。

Based on the new experimental data , a set of optimal optical potential parameters for n + ￣( 56 ) pe reaction are obtained with the code APOM .

与其它现有理论不同之处在于本文的模型势的选择是让参与跃迁的K电子的结合能（bindingenergy）等于其电离能。在MPOBK近似中，K壳层电子俘获截面是一个解析表达式。

In the present method , the effective potential is chosen to make the binding energy of the transition K-electron equal to its ionization potential and the K-shell electron capture cross section is an analytical expression .

利用相关效应的模型势方法计算了钠原子Rydberg态s系列的能级寿命。

The model-potential method including correlation effects is applied to the computation of lifetimes of high s series Rydberg states of Na atom .

batty，c.j.光学模型势在∑-原子中的应用

Energy-Levels of Σ- Atom and the Optical Model Potential

用分子动力学方法和EAM模型势对液态金属Ni原子系统在不同冷却速率下凝固过程中微观结构的演变进行了模拟研究。

A simulation study has been performed for the evolutions of microstructures in a liquid metal Ni sys-tem during solidification process under different cooling rates by means of molecular dynamics method and EAM model potential .

并选用Morse势函数为模型势函数，分别利用有限差分法和球贝塞尔函数展开法计算出了双原子分子CO的纯振动、振-转能级能量本征值和波函数以及Frank-Condon因子。

Pure vibrational and vibrational-rotational energy levels as well as Frank-Condon factors of CO molecule are computed by both finite difference method and spherical Bessel function expansion method respectively , using Morse potential function as potential model function .

将模型势函法和MNDO方法结合起来，得到了顺、反甲酸分子的完整力场。

The complete force fields of the cis and trans isomers are determined by the method of determining force field combining model potential function method with MNDO method .

计算结果解释了氧分子与半导体表面相互作用中的能量传递机理，验证了前面工作所得到的LEPS半经验模型势的合理性。

The calculated results have explained the mechanism of energy transfer in the interaction between O2 molecule and silicon surface , and demonstrated the rationality of the semi-empirical LEPS model potential constructed previously .

利用这组光学模型势参数，扭曲波玻恩近似理论，核反应HauserFeshbach理论和预平衡反应的激子模型，计算和分析了中子与116118120122124Sn反应分离能级的非弹性散射截面和角分布。

The inelastic scattering cross sections and angular distributions of discrete levels are calculated and analyzed by the distorted wave Born approximation theory based on the unified Hauser Feshbach theory and the exciton model . With the fitting procedure the neutron optical model potential parameters are obtained .

稀有气体原子间相互作用势的模型势计算

The model potential calculation of interaction potential between rare gaseous atoms

单电子原子模型势中粒子的双波函数描述

The description with double-wave function for particle in single-atom model potential

用模型势方法计算锂原子的跃迁几率

Calculation of transition probabilities of Li in new model potential method

多原子分子振动力场的模型势函数方法的进一步研究

Further Study on the Model Potential Fuction Method of Polyatomic Molecule

里德堡钠原子抗磁谱的模型势计算

Model potential calculations of diamagnetic spectra of Rydberg sodium atoms

强磁场中NO分子的模型势与闭合轨道

The model potential and closed orbits of no molecule in strong external fields

多电子原子和离子体系能量积分参数的模型势理论计算公式

The Formulas of Energy Integration Parameters for Atoms and Ions within Model Potential Theory

模型势函法计算多原子分子力场的研究

Research in the Calculation of Force Field of Polyatomic Molecule Utilizing Model Potential Function Method

原子模型势中任意算符矩阵元的递推关系

The recurrence relations of matrix element for arbitrary operators in the model potential of atomic

原子模型势理论中径向微分算符矩阵元的计算

The calculation of radial differentiation operator martix elements in the model potential theory of atomic structure

对电子与氦原子相互作用的模型势进行了修正。

A new model potential is used for the electron scattering by helium atoms at low incident energies .

于是选择和调整光学模型势参数成为核数据计算的关键步骤。

Thus , choosing and adjusting the optical potential parameters are the crucial steps in nuclear data calculations .

最后采用一种数学模型势对u~（236）裂变作了数值计算，结果在物理上是基本合理的。

Numerical calculation is performed for fission of ~ ( 236 ) U and on the whole the results are reasonable .

运用双波函数量子理论，给出了单电子原子模型势中粒子的双波函数描述。

The description with double-wave function for particle in single-atom model potential is obtained by using the quantum theory of double-wave function .

获得了一类非谐振模型势，即环形非球谐振子、非球谐振子和环形振子径向平均值的两个递推关系。

In this paper , two recurrence formulas are derived for the radial average values of a kind of non-harmonic oscillator model potentials ;

在本论文中，我们采用从头算模型势镶嵌团簇方法来研究稀土离子掺杂的无机发光材料。

In this dissertation , the rare earth ion-doped luminescent materials are studied via the Ab-initio model potential ( AIMP ) embedded cluster method .

叙述了核子核子的光学模型势的研究进展及其在电子原子散射中的应用，同时还涉及到核数据及光学模型的应用。

This paper describes new research of the nucleon - nucleon optical model potential and application in electron - atom scattering . The application on the nuclear data and optical model are also involved .