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A compromise between the implicit and explicit models, known as discrete-continuum, cluster-continuum, semicontinuum, orsupermolecule-continuum model, is to include several solvent molecules around the solute into the QM part, but the rest bulk solvent is treated with the continuum theory.

结果表明:(1),离散—连续组合模型既在从头算水平考虑了溶质分子和第一溶剂化层中溶剂分子间的短程作用,又包含了溶剂效应的长程静电作用;既包括了量子力学的精确性,又利用了连续场的高效性。

Using operator-theoretic-methods, we give some characterizations for a dual generalized frame of a generalized frame in a separable Hilbert space H. We also prove a result concerning two strongly disjiont generalized frames.

本文研究了可分的Hilbert空间H中的广义框架,运用算子理论方法,研究了可分的Hilbert空间H中广义框架的性质,给出了广义框架的对偶广义框架的一些刻画,并且证明了两个广义框架是强非交的一个充分必要条件。

A new mathematical model of intelligence test paper generation system was set up. To avoid slow-convergence and local convergence of simple genetic algorithm, a kind of improved genetic algorithm was proposed in this paper.

建立了一种新的试卷矩阵数学模型,提出了改进的遗传算法编码方式,并通过改进初始群体的产生方法和遗传算子,有效提高了遗传算法的收敛速度,并较好地避免了局部收敛现象。

At the level of single factor,a method for diagnosis of data error in plane control survey was put forward systematically.

在单因素水平上,提出了平面控制测量数据超限时,粗差的系统诊断方法,以C语言为基础,开发了相应的诊断模块,并给出算例,检验了模块的有效性,为检验导线闭合差是否超限提供了方便。

The results show the high accuracy quality of spectral element method and the stability of Newmark time integral method. Then some computational parameter is changed in example one such as the subdivision style of computational domain, time step length and such on. Some important conclusions and strategies for spectral element method with Newmark integral method for computational aeroacoustics can be given. The feasibility of spectral element method for computational aeroacoustics is verified.

计算结果表明谱元方法的高精度及Newmark时间积分方法的稳定性,并改变算例的计算参数,例如计算区域剖分方式、时间推进步长等进行了计算,得出了一些重要结论,为使用谱元方法结合Newmark积分求解气动声学问题积累了重要的经验,最终证明了谱元方法求解计算气动声学问题的可行性。

Subsequently, according to the geometrical and kinematic relations among different parts of the system, the constraint force and moment in the model is eliminated to obtain the standard form equation set which is fit for programming on the computer, and then programs it.

根据系统各部分间的几何及运动学关系,消去了模型中的约束力和约束力偶,得到了适于上机编程的标准化方程组,编制了模型的计算机程序,给出了程序算例。

Markov chain, Statistical theory and Optimization method are used to study bonus-malus systems, mainly focusing on revising and designing of the bonus-malus system. The primaty research content and results are obtained as followes:1. Based on the characteristic that the policy will be divided into homogeneous composition and policies of non-homogeneity in a models to fit the claims numbers.

在保险实践中,将保单分为同质性保单(来源:ABC论d1文网www.abclunwen.com)组合和非同质性保单组合,根据这个特点,文中分别用不同的模型来拟合保单的索赔次数,具体的讨论了两类组合中两种特殊分布,对分布中的参数进行了估计,给出了数值算例,并分析了拟合结果。2。

The new approach improves the step length and the convergence is analyzed. Numerical examples are given to illustrate the effectiveness of the proposed method.

在此基础上提出了求解只带有等式约束的凸二次规划问题的新算法,该算法改进了搜索步长,分析了收敛性,通过数值算例验证了算法的有效性和优越性。

Moreover, we give some dual properties of these problems, and on this basis, we present a dual algorithm for solving the nonconvex conic model trust-region subproblem.

论文分析了这些问题的对偶性质,在此基础上,通过对偶提出了求解锥模型信赖域子问题的算法,同时证明了算法的全局收敛性以及局部Q-超线性收敛性,并给出了一些数值算例以说明算法的有效性。

Afterwards, using the spherical tensor form of many-electron atom Hamilton and the irreducible tensor theory, the relativistic and fine-structure energy correction to the non-relativistic energy of Boron-like atoms in the ground and the first excited states have been further investigated. A theoretically analytic way has been given as to the calculation of all the radial integrations and spin summations, which concern interactions such as orbit-orbit, spin-orbit, spin-spin and spin-other-orbit. Therefore, the whole process of calculating the many- electron atom energy structures has been explicitly revealed and the results are relatively precise and satisfactory.

在此基础上,利用多电子原子哈密顿算符的球张量形式和不可约张量理论,进一步研究了类硼离子基态和第一激发态非相对论能级的相对论修正和精细结构,给出了轨道-轨道、自旋-轨道、自旋-自旋、自旋-其它轨道等相互作用所涉及的所有角向积分和自旋求和的解析计算方法,清晰地展示了多电子原子结构计算的过程,得到了较为精确的理论计算结果。

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