论文标题

对于时间依赖的Kohn-Sham方程的解决方案的存在和独特性以及经典的核动力学

Existence and uniqueness of solutions to the time-dependent Kohn-Sham equations coupled with classical nuclear dynamics

论文作者

Baumeier, Björn, Çaylak, Onur, Mercuri, Carlo, Peletier, Mark, Prokert, Georg, Scharpach, Wouter

论文摘要

我们证明了解决与牛顿核动力学相关的一类时间依赖的Kohn-Sham方程相关的初始值问题解决方案的存在和唯一性。我们在局部密度近似(LDA)的概括中考虑纯电交换项,确定了$ h^2 $解决方案对Kohn-Sham方程的存在和独特性的一系列指数。

We prove existence and uniqueness of solutions to the initial-value problem associated with a class of time-dependent Kohn-Sham equations coupled with Newtonian nuclear dynamics. We consider a pure power exchange term within a generalisation of the Local Density Approximation (LDA), identifying a range of exponents for the existence and uniqueness of $H^2$ solutions to the Kohn-Sham equations.

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