Starrett C E, Shaffer N
Los Alamos National Laboratory, P.O. Box 1663, Los Alamos, New Mexico 87545, USA.
Phys Rev E. 2020 Oct;102(4-1):043211. doi: 10.1103/PhysRevE.102.043211.
Dense plasmas occur in stars, giant planets, and in inertial fusion experiments. Accurate modeling of the electronic structure of these plasmas allows for prediction of material properties that can in turn be used to simulate these astrophysical objects and terrestrial experiments. But modeling them remains a challenge. Here we explore the Korringa-Kohn-Rostoker Green's function (KKR-GF) method for this purpose. We find that it is able to predict equation of state in good agreement with other state-of-the-art methods, where they are accurate and viable. In addition, it is shown that the computational cost does not significantly change with temperature, in contrast with other approaches. Moreover, the method does not use pseudopotentials-core states are calculated self consistently. We conclude that KKR-GF is a very promising method for dense plasma simulation.
致密等离子体存在于恒星、巨行星以及惯性聚变实验中。对这些等离子体的电子结构进行精确建模，可以预测材料特性，进而用于模拟这些天体物理对象和地面实验。但对它们进行建模仍然是一项挑战。为此，我们探索了用于此目的的科林加 - 科恩 - 罗斯托克格林函数（KKR - GF）方法。我们发现，在其他先进方法准确且可行的情况下，它能够预测出与之一致的状态方程。此外，与其他方法相比，计算成本不会随温度显著变化。而且，该方法不使用赝势——核心态是自洽计算的。我们得出结论，KKR - GF是一种用于致密等离子体模拟非常有前景的方法。
