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The new model introduces a modified term M , which includes the contribution to total energy from the angular distribution of an atomic electronic density, and can fit the negative Cauchy pressure of such as Cr.

本文导出了一个普适分析型嵌入原子模型,该模型引进了一个描述原子电子密度分布的非球对称部分对系统总能量贡献的修正项M,它能正确拟合具有。。。

The main results in this chapter are as follows:Theorem 2.1.2Let〓be a countable atomic model.If〓is infinite,then〓is a countable atomic model.

本章的主要结果有:定理2.1.2若〓是可数的原子模型,〓不是〓的代数公式,则〓也是可数的原子模型

Bohr's proposal that the atom existed only in a discrete set of energy states still remains relevant, known as the Bohr atomic model, though it has been replaced scientifically.

玻尔的提议,即原子只存在于一个独立的国家的能源仍然是相关的,被称为玻尔原子模型,虽然它已取代科学。

On the basis of the improved averaged atomic model,the distribution of the free electrons is dealt with by the partial-wave method to improve the precision of determination of the energy level,electron populations and atomic inner energy.

在改进的平均原子模型的基础上,在中心场近似下用分波法处理自由电子密度分布函数,提高了电子波函数、电子占据数等原子参数的计算精度。

How is Thomson's model of the atom different from Dalton's model of the atom?

汤姆生的原子模型和道尔顿的原子模型有什么区别?

Describe the pollution simulation model; propose the decomposition principle which is independence between atom model and application, convenience of dynamic composition according to structure of pollution spreading simulation service. The basic idea is that decompensate the entire model, package the every sub model into grid service and deploy it into grid node.

从海上溢漏污染扩散模拟模型体系的构成出发,首先进行污染模拟模型的描述,提出了基本原子模型与实际应用的无关性、动态组合的方便性的模型体系分解原则,以及具体实现的思路;将整个海上溢漏污染扩散模拟模型体系进行分解,进行网格化封装与部署,形成独立的网格服务。

According to the VESs analysis, the intrinsic brittleness of Fe〓Al is due to less lattice electrons, bondcomplex distribution heterogeneity, hydrogen-induced embrittlement, and the difficulty in recovery of the lattice symmetry, while various alloying elements have strengthening and toughening effects through altering the VES parameters.

运用固体与分子经验电子理论建立起Fe〓Al合金各相的价电子结构,在计算中,首次尝试利用TFD模型确定Fe〓Al的原子杂阶,针对不完全有序的B2-Fe〓Al提出"局部平均原子模型",对Fe〓Al的室温脆性从电子理论上进行了系统的阐述,认为较少的晶格电子、键络分布不均匀、氢致脆性和难以恢复晶体的对称性使Fe〓Al具有本质脆性,合金化元素可以在一定程度上改变价电子结构参数而改善强度和韧性。

But the simplicity of this picture was lost as the theory developed, and it was Niels Bohr himself, one of the earliest creators of the atomic model, who warned against overvaluing it as a representation.

但是随着原子理论的发展,这种简单化的图画就不知所措了,正是原子模型最早的创造者尼尔斯*波尔本人警告不要高估原子模型在再现方面的作用。

Changsha 410082, China)Abstract: The anharmonic effect of temperature on phonon frequency, line width, vibrational amplitude and structure factor of atoms for the low index surface of Ag were studied by molecular dynamics simulation and the analytic embedded atom method.

摘 要:应用分子动力学,结合分析型嵌入原子模型研究了Ag低指数面的声子频率、声子线宽度、原子振动振幅和层结构因子随温度的变化关系。

In this paper we propose a one-dimensional muonic atom model, on which the time-dependent Schrdinger equation is numerically solved by Crank-Nicholson method.

本文提出了一个一维μ介子原子模型,用数值积分方法求解了在超强激光场作用下该模型原子的含时Schrdinger方程,得到了它的高次谐波发射谱。

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