论文标题
单中心电子系统的完整多极基集
Complete Multipole Basis Set for Single-Centered Electron Systems
论文作者
论文摘要
提供了四种多物种（电气，磁性，磁环形和电动环）的整个表达式，作为一个完整的基础集，以描述任意单中心的跨中心电子系统。还得出了一个用于计算这些多物的矩阵元素的紧凑公式。提出了一种以多物为特征的电子状态的可视化方法。完整的基集可用于缩小相变中电子系统的候选顺序参数，以描述交叉相关现象的特性，以分析磁序状态下的X射线散射光谱等等。我们通过在自旋轨道偶联系统中作为典型示例中的三个不同的磁偶极子（轨道，旋转角动量和各向异性偶极子）中的三个不同的磁性偶极子（轨道，旋转角动量和各向异性偶极子）之间的相互关系证明了完整基集的用法。
A whole series of expressions for four species of multipoles (electric, magnetic, magnetic toroidal, and electric toroidal) is provided as a complete basis set to describe arbitrary single-centered spinful electron systems. A compact formula to calculate matrix elements of these multipoles is also derived. A visualization method of an electronic state characterized in terms of multipoles is proposed. The complete basis set is useful to narrow down a candidate order parameter of electron systems in phase transition, to describe a property of cross-correlated phenomena, to analyze spectra of x-ray scattering in magnetically ordered state, and so on. We demonstrate a usage of the complete basis set by taking monopole and toroidal dipole orderings, and the mutual relationship among three distinct magnetic dipoles (orbital, spin angular momenta and anisotropic dipole) in a spin-orbit coupled system as prime examples.
