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Results show that errors of the approximate method are in agreement with the width of normalized function band obtained based on simulation.
结果表明,近似预测的误差程度与利用计算机构造虚拟结构的方法获得广义归一化函数带的宽度相吻合。
The ab initio method, which is theoretically accurate, is applied to calculate the energy band structure of diamond. The results obtained is in good agreement with the experimental values.
本文利用理论上严格的从头算方法计算了金刚石的能带,得到了与实验基本一致的结果。
It is found that the criterion is in agreement with the criterion of instability for the system composed of shear band and elastic rocks outside the band.
岩样的快速回跳条件就是系统(由剪切带及带外弹性岩石构成)的失稳判据。
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