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Electron Correlations in Local Effective Potential Theory

机译:局部有效电位理论中的电子相关

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Local effective potential theory, both stationary-state and time-dependent, constitutes the mapping from a system of electrons in an external field to one of the noninteracting fermions possessing the same basic variable such as the density, thereby enabling the determination of the energy and other properties of the electronic system. This paper is a description via Quantal Density Functional Theory (QDFT) of the electron correlations that must be accounted for in such a mapping. It is proved through QDFT that independent of the form of external field, (a) it is possible to map to a model system possessing all the basic variables; and that (b) with the requirement that the model fermions are subject to the same external fields, the only correlations that must be considered are those due to the Pauli exclusion principle, Coulomb repulsion, and Correlation–Kinetic effects. The cases of both a static and time-dependent electromagnetic field, for which the basic variables are the density and physical current density, are considered. The examples of solely an external electrostatic or time-dependent electric field constitute special cases. An efficacious unification in terms of electron correlations, independent of the type of external field, is thereby achieved. The mapping is explicated for the example of a quantum dot in a magnetostatic field, and for a quantum dot in a magnetostatic and time-dependent electric field.
机译:局部有效电势理论(既是稳态的又是时间相关的)构成了从外部场中的电子系统到具有相同基本变量(例如密度)的非相互作用费米子之一的映射,从而可以确定能量和电子系统的其他属性。本文是根据量子密度泛函理论(QDFT)对在此类映射中必须考虑的电子相关性的描述。通过QDFT证明,与外部场的形式无关,(a)可以映射到具有所有基本变量的模型系统;并且(b)要求模型费米子受相同的外部场的影响,必须考虑的唯一相关是由于保利排斥原理,库仑斥力和相关动力学效应引起的。考虑了静态和随时间变化的电磁场的情况,其基本变量是密度和物理电流密度。仅外部静电场或随时间变化的电场的示例构成特殊情况。由此实现在电子相关性方面的有效统一,而与外部场的类型无关。对于静磁场中的量子点以及在静磁场和时间相关的电场中的量子点的示例,该映射进行了说明。

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