Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter
Abstract
We present a finite-temperature extension of the retarded cumulant Green's function for calculations of exited-state and thermodynamic properties of electronic systems. The method incorporates a cumulant to leading order in the screened Coulomb interaction and improves excited state properties compared to the approximation of many-body perturbation theory. Results for the homogeneous electron gas are presented for a wide range of densities and temperatures, from cool to warm dense matter regime, which reveal several hitherto unexpected properties. For example, correlation effects remain strong at high while the exchange-correlation energy becomes small. In addition, the spectral function broadens and damping increases with temperature, blurring the usual quasi-particle picture. Similarly Compton scattering exhibits substantial many-body corrections that persist at normal densities and intermediate . Results for exchange-correlation energies and potentials are in good agreement with existing theories and finite-temperature DFT functionals.
Keywords
Cite
@article{arxiv.1708.04126,
title = {Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter},
author = {J. J. Kas and J. J. Rehr},
journal= {arXiv preprint arXiv:1708.04126},
year = {2017}
}