Analysing the dynamic structure of warm dense matter in the imaginary-time domain: theoretical models and simulations

Abstract

Rigorous diagnostics of experiments with warm dense matter are notoriously difficult. A key method is X-ray Thomson scattering (XRTS), but the interpretation of XRTS measurements is usually based on theoretical models that entail various approximations. Recently, Dornheim et al. [ Nat. Commun. 13 , 7911 (2022)] introduced a new framework for temperature diagnostics of XRTS experiments that is based on imaginary-time correlation functions. On the one hand, switching from the frequency to the imaginary-time domain gives one direct access to a number of physical properties, which facilitates the extraction of the temperature of arbitrarily complex materials without relying on any models or approximations. On the other hand, the bulk of theoretical work in dynamic quantum many-body theory is devoted to the frequency domain, and, to the best of our knowledge, the manifestation of physics properties within the imaginary-time density–density correlation function (ITCF) remains poorly understood. In the present work, we aim to fill this gap by introducing a simple, semi-analytical model for the imaginary-time dependence of two-body correlations within the framework of imaginary-time path integrals. As a practical example, we compare our new model to extensive ab initio path integral Monte Carlo results for the ITCF of a uniform electron gas, and find excellent agreement over a broad range of wavenumbers, densities and temperatures. This article is part of the theme issue ‘Dynamic and transient processes in warm dense matter’.