A new article from E-CAM partners at the Maison de la Simulation (CEA, CNRS, Univ. Paris-Sud), have published a new article:
Quantum Monte Carlo determination of the principal Hugoniot of deuterium
Michele Ruggeri, Markus Holzmann, David M. Ceperley, and Carlo Pierleoni
Phys. Rev. B2020, 102, 144108
Open access version
Abstract: 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 potential energy surface by wave-function optimization within variational Monte Carlo and projection quantum Monte Carlo methods. Compared to a previous study, our 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.