固体中离子氧化态的严格定义
Rigorous definition of oxidation states of ions in solids
摘要：
我们提出的理由和严格的程序，在扩展系统中的原子之间的电子分配。该方法是基于波函数拓扑结构和现代极化理论，而不是电荷密度分区或波函数投影，因此，重新制定了氧化态的概念，而不假设原子之间的真实空间电荷转移。该配方提供了严格的有限范围的固体，包括薄膜和纳米线的静电。
英文摘要：
We present justification and rigorous procedure for electron partitioning among atoms in extended systems. The method is based on wavefunction topology and the modern theory of polarization, rather than charge density partitioning or wavefunction projection, and, as such, re-formulates the concept of oxidation state without assuming real-space charge transfer between atoms. This formulation provides rigorous electrostatics of finite extent solids, including films and nanowires.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
