能量、动量和电子与核之间的Angular Momentum转移
Energy, Momentum and Angular Momentum Transfer Between Electrons and Nuclei
摘要：
最近发展起来的精确因式分解方法将原子核子系统上的所有电子效应压缩为标量势和矢量势，它们出现在有效的含时薛定谔方程中。从这个方程出发，我们推导出表征电子与原子核之间的能量、动量和角动量转移的子系统Escherichfest恒等式。在这三个恒等式中，对应于有效标量势和矢量势的电磁场所诱导的有效电磁力算符都出现了。有效磁场具有两个分量，其可以通过用（a）相同核的不同笛卡尔坐标和（b）两个不同核的任意笛卡尔坐标计算的Berry曲率来识别。(a)经典的解释是原子核感受到的感应磁场，而（b）没有经典的类似物。子系统Eklfest恒等式非常适合于量化电子-声子系统中的能量转移。我们用两个明确的例子证明了新恒等式的实用性。
英文摘要：
The recently developed exact factorization approach condenses all electronic effects on the nuclear subsystem into scalar and vector potentials that appear in an effective time dependent Schrödinger equation. Starting from this equation, we derive subsystem Ehrenfest identities characterizing the energy, momentum and angular momentum transfer between electrons and nuclei. An effective electromagnetic force operator induced by the electromagnetic field corresponding to the effective scalar and vector potentials appears in all three identities. The effective magnetic field has two components that can be identified with the Berry curvature calculated with (a) different cartesian coordinates of the same nucleus and (b) arbitrary cartesian coordinates of two different nuclei. (a) has a classical interpretation as the induced magnetic field felt by the nucleus, while (b) has no classical analog. Subsystem Ehrenfest identities are ideally suited for quantifying energy transfer in electron-phonon systems. With two explicit examples we demonstrate the usefulness of the new identities.
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