Bound-State Breaking and the Importance of Thermal Exchange-Correlation Effects in Warm Dense Hydrogen.

ABSTRACT: Hydrogen at extreme temperatures and pressures is of key relevance for cutting-edge technological applications, with inertial confinement fusion research being a prime example. In addition, it is ubiquitous throughout our universe and naturally occurs in a variety of astrophysical objects. In the present work, we present exact ab initio path integral Monte Carlo (PIMC) results for the electronic density of warm dense hydrogen along a line of constant degeneracy across a broad range of densities. Using the well-known concept of reduced density gradients, we develop a new framework to identify the breaking of bound states due to pressure ionization in bulk hydrogen. Moreover, we use our PIMC results as a reference to rigorously assess the accuracy of a variety of exchange-correlation (XC) fu

SUBMITTER: Moldabekov Z 

PROVIDER: S-EPMC10782774 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature