Hylleraas Seminar, Sangita Sen and Simen Kvaal

Hylleraas seminar, hosted in Oslo

Speaker 1: Sangita Sen

Title: A local tensor that unifies kinetic energy density and vorticity dependent exchange-correlation functionals + RPA excited states in magnetic fields (if time permits)

We present a kinetic energy tensor that unifies a scalar kinetic energy density commonly used in meta-Generalized Gradient Approximation (mGGA) functionals and the vorticity density that appears in paramagnetic current-density-functional theory (CDFT). Both types of functionals can thus be subsumed as special cases of a novel functional form that is naturally placed on the third rung of Jacob's ladder. Moreover, the kinetic energy tensor is related to the exchange hole curvature, is gauge invariant, and has very clearcut N-representability conditions. The latter conditions enable the definition of effective number of non-negligible orbitals. Whereas quantities such as the Electron Localization Function (ELF) can discriminate effective one-orbital regions from other regions, the present kinetic energy tensor can discriminate between one-, two-, three-, and four-or-more orbital regions.

Speaker 2: Simen Kvaal

Title: Visual profile of the Hylleraas centre

The design of the visual profile by Alexey Novoselov is nearing completion. I present the logo, typography, design elements, and the template for presentations.

The Hylleraas seminars alternate between Oslo (room V205) and Tromsø (room C302), and are broadcasted by video conference to the other place. It is possible to follow the seminars externally upon request.

Published Sep. 20, 2018 4:41 PM - Last modified Sep. 20, 2018 4:50 PM