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On the Kohn-Sham Equations with Periodic Background Potentials

机译:具有周期背景电位的Kohn-Sham方程

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摘要

We study the question of existence and uniqueness for the finite temperature Kohn-Sham equations. For finite volumes, a unique soluion is shown to exists if the effective potential satisfies a set of general conditions and the coupling constant is smaller than a certain value. For periodic background potentials, this value is proven to be volume independent. In this case, the finite volume solutions are shown to converge as the thermodynamic limit is considered. The local density approximation is shown to satisfy the general conditions mentioned above.
机译:我们研究了有限温度Kohn-Sham方程的存在性和唯一性问题。对于有限体积,如果有效电势满足一组一般条件并且耦合常数小于某个值,则表明存在唯一的解。对于周期性的背景电位,该值被证明与体积无关。在这种情况下,当考虑热力学极限时,有限体积解将收敛。显示出局部密度近似满足上述一般条件。

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