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periodic boundary conditions
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periodic boundary conditions
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理学
周期性边界条件
释
periodic boundary conditions
周期性边界条件
为降低计算量及减小有限尺寸效应而在模型中引入的等周期扩展的边界条件。即假设一个无限大体系可以分成一些尺寸相同的原胞,不同原胞的微观状态是完全相同的或仅相差一个简单的相位关系。在材料计算与分子模拟中经常用到。
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