计算晶体电子能量的两个表达式的比较

Š. Pick
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引用次数: 5

摘要

分析了电子能量的两种表达式,其中第二种表达式是不自洽的。这两个公式似乎在自洽修正中直到一阶都是等价的
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Comparison of two expressions to compute the electronic energy of a crystal
Two expressions for the electronic energy, the second one of which is not selfconsistent, are analyzed. It appears that the two formulas are equivalent up to the first order in selfconsistent corrections
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