English

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

Strongly Correlated Electrons 2017-11-01 v1

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 WW and improves excited state properties compared to the GWGW 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 TT 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 TT. 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}
}