单空位与体相正电子寿命之比对计算中所用近似的敏感性：周期性行为
Sensitiveness of the ratio between monovacancy and bulk positron lifetimes to the approximations used in the calculations: Periodic behaviour
AI总结：
本文计算了周期表中多数元素体相与单空位正电子寿命，发现其比值随原子序数呈周期性且与实验吻合，但该比值对计算近似敏感，挑战了先前假设。
摘要：
已对元素周期表中大多数元素的体相和单空位正电子寿命进行了计算。在固体电子结构计算中，采用了自洽和非自洽方案，以及不同的正电子增强因子和相关能参数化。分析了单空位与体相寿命之比。在所有计算方法中，该比值随原子序数呈现周期性行为，并与选定的实验数据一致。与之前的假设相反，该比值对计算中所用的近似表现出敏感性。这项广泛的工作使我们能够研究和阐明当今广泛用于模拟、研究和理解正电子参数的理论和计算方法的特征。
英文摘要：
Positron lifetimes have been calculated in bulk and monovacancies for most of the elements of the periodic table. Self-consistent and non-self-consistent schemes have been used for the calculation of the electronic structure in the solid, as well as different parameterizations for the positron enhancement factor and correlation energy. The ratio between the monovacancy and bulk lifetimes has been analyzed. This ratio shows a periodic behaviour with atomic number in all the calculation methods and it is in agreement with selected experimental data. The ratio shows, in contradiction to previous assumptions, sensitiveness to the approximations used in the calculations. This extensive work has allowed us to study and enlighten features of the theory and computing methods broadly used nowadays in simulating, studying and understanding positronic parameters.
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