Relativistic Range-Separated Density Functional Theory

Julien Paquier

Laboratoire de Chimie Théorique - UMR 7616 UPMC & CNRS - Paris, France

Mercredi 6 Décembre 2017, 11^h00
bibliothèque LCT, tour 12 - 13, 4^ème étage

I will talk about the motivations for this work on range separated RDFT, a bit about the necessary mathematical framework, and the main part of the talk will be focused on two points: the impact of relativity on the exchange LDA functional, and how to combine range-separation and relativity in an analytical fashion.