Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting applications from astrophysics to fusion energy research. Here we explore the real-space Green’s function method as a technique for solving the Kohn–Sham density functional theory equations under warm dense matter conditions. We find the method to be tractable and accurate throughout the density and temperature range of interest, in contrast to other approaches. Good agreement on equation of state is found when comparing to other methods, where they are thought to be accurate.

对热致密物质的电子结构进行准确建模是一个具有挑战性的问题，其解决方案将有助于更好地理解材料特性，如状态方程、不透明度和电导率，从而应用到从天体物理学到聚变能研究的领域。在这里，我们探索实空间格林函数方法作为一种在暖密物质条件下求解 Kohn-Sham 密度泛函理论方程的技术。与其他方法相比，我们发现该方法在整个感兴趣的密度和温度范围内都易于处理且准确。与其他被认为是准确的方法相比，发现状态方程具有良好的一致性。