Range-Separated Density Functional Theory

  • Stefan Riemelmoser (Autor*in)

Aktivität: VorträgePosterpräsentationScience to Science


In solid state physics, we encounter both IR and UV divergences in the evaluation of Feynman diagrams. These are related to the very nature of the Coulomb potential, namely its infinite range and the singularity at zero distance respectively. Even though the divergences are integrable, they drive up the cost of numerical methods significantly. Either sort of divergence can be cured by splitting the Coulomb potential in a long-range and complementary short-range part. Then, the part of diagrams that contains the divergence is approximated by density functional theory. I will discuss technical and theoretical aspects of range-separation techniques and talk about popular applications of the method such as the HSE functional. Furthermore, I will present findings of my own investigations into range-separated RPA.
Zeitraum9 Sep. 2019
EreignistitelMolecular and materials simulation at the turn of the decade: Celebrating 50 years of CECAM
OrtLausanne, SchweizAuf Karte anzeigen