pith. sign in

arxiv: 1708.04126 · v1 · pith:FKTWJZEDnew · submitted 2017-07-25 · ❄️ cond-mat.str-el

Finite temperature Green's function approach for excited state and thermodynamic properties of cool to warm dense matter

classification ❄️ cond-mat.str-el
keywords propertiesfunctioncoolcumulantdensedensitiesexchange-correlationexcited
0
0 comments X
read the original 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 $W$ and improves excited state properties compared to the $GW$ 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 $T$ 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 $T$. Results for exchange-correlation energies and potentials are in good agreement with existing theories and finite-temperature DFT functionals.

This paper has not been read by Pith yet.

discussion (0)

Sign in with ORCID, Apple, or X to comment. Anyone can read and Pith papers without signing in.