论文标题
山蒙特卡洛确定氘
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
论文作者
论文摘要
我们为氘的主要雨果式的耦合电子蒙特卡洛结果以及对冲击波实验的初始参考状态进行了准确的研究。我们讨论了核量子效应，热电子激发以及通过波函数优化在变化蒙特卡洛和投影量子量蒙特卡洛方法中的能量表面的收敛的影响。与先前的研究相比，新的计算还包括低压温度（P，T）条件，导致与实验数据密切一致，而我们在较高（P，T）条件下进行的修订结果仍然可以预测比实验性观察到的更可压缩的Hugoniot。
We present Coupled Electron-Ion Monte Carlo results for the principal Hugoniot of deuterium together with an accurate study of the initial reference state of shock wave experiments. We discuss the influence of nuclear quantum effects, thermal electronic excitations, and the convergence of the energy potential surface by wave function optimization within Variational Monte Carlo and Projection Quantum Monte Carlo methods. Compared to a previous study, the new calculations also include low pressure-temperature (P,T) conditions resulting in close agreement with experimental data, while our revised results at higher (P,T) conditions still predict a more compressible Hugoniot than experimentally observed.
