论文标题
透视：从晶体的偶极子到晶体的极化
Perspective: From the dipole of a crystallite to the polarization of a crystal
论文作者
论文摘要
晶体固体极化的量子力学表达与有界结晶石的偶极子（琐碎）表达没有任何相似之处。实际上，它已经通过概念上不同的路径证明。在这里，我展示了如何以一种非常规的方式定义有限样品的偶极子；从这种公式中，晶体极化公式（如在电子结构代码中通常实现）几乎无缝遵循。
The quantum-mechanical expression for the polarization of a crystalline solid does not bear any resemblance to the (trivial) expression for the dipole of a bounded crystallite; and in fact it has been proved via a conceptually different path. Here I show how to alternatively define the dipole of a bounded sample in a somewhat unconventional way; from such formula, the crystalline polarization formula -- as routinely implemented in electronic-structure codes -- follows almost seamlessly.
