非局域正电子-电子密度泛函理论与正电子表面态

K. O. Jenson, A. Walker
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引用次数: 18

摘要

作者描述了一个非局域正电子-电子密度泛函理论,并展示了如何用它来寻找非局域效应重要的非均匀系统中正电子的相关势。将该理论应用于金属表面的像势诱导表面态。这里的成像势来自于正电子和它的屏蔽云之间的相互作用,当正电子离开表面时,这种相互作用变得越来越远,越来越非局域。他们通过计算铝表面正电子的结合能和寿命来验证这一理论,结果与实验值吻合得很好。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Non-local positron-electron density functional theory and the positron surface state
The authors describe a non-local positron-electron density functional theory and show how it can be used to find the correlation potential for a positron in inhomogeneous systems where non-local effects are important. The theory is applied to the image potential induced surface state at a metal surface. Here the image potential arises from interactions between the positron and its screening cloud, which become increasingly long ranged and non-local as the positron leaves the surface. They have tested the theory with calculations of the binding energy and lifetime of a positron at an aluminium surface which agree well with experimental values.
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