Muffin-tin型分子内势的非物理结果
Non-physical consequences of the Muffin-tin-type intra-molecular potential
摘要：
我们证明了使用一个简单的模型，在框架中的松饼罐式的潜在的非物理特性出现在分子光电离截面是跳跃的潜在的后果，其一阶导数在一定的半径。非物理效应的量级与双原子分子横截面中的物理振荡量级相同。这些跳跃的大小的作用是通过选择它的三个值来说明的。所获得的结果连接到以前研究的非分析行为的影响作为一个函数的r的电势V（r）作用于一个粒子上的光电离截面。实际上，这种势在量值上必须是解析的，在距离上必须是一阶导数函数。在模型势中引入非解析特征导致相应截面中的非物理特征-振荡、附加极大值等。
英文摘要：
We demonstrate using a simple model that in the frame of muffin-tin - like potential non-physical peculiarities appear in molecular photoionization cross-sections that are a consequence of jumps in the potential and its first derivative at some radius. The magnitude of non-physical effects is of the same order as the physical oscillations in the cross-section of a two-atomic molecule. The role of the size of these jumps is illustrated by choosing three values of it. The results obtained are connected to the studied previously effect of non-analytical behavior as a function of r the potential V(r)acting upon a particle on its photoionization cross-section. In reality, such potential has to be analytic in magnitude and first derivative function in distance. Introduction of non-analytic features in model potential leads to non-physical features in the corresponding cross-section - oscillations, additional maxima etc.
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