Towards a unified description of ground and excited state properties

Patrick Rinke
Fritz-Haber-Institut der Max-Planck-Gesellschaft

In the quest for finding an "optimal" electronic structure method, that combines accuracy and tractability with transferability across different chemical environments and dimensionalities, the treatment of exchange and correlation in terms of "exact-exchange plus correlation in the random-phase approximation (EX+cRPA)" offers a promising avenue. For quasiparticle spectra as measured by direct and inverse photoemission the GW approach is on the same level of theory as EX+cRPA for the ground state. In this talk I will contrast the two approaches in the context of warm dense matter, address current challenges and present avenues for going beyond RPA/GW

Presentation (PDF File)

Back to Workshop IV: Computational Challenges in Warm Dense Matter