Description du sujet de thèse

This project aims to describe the spectroscopic properties, such as photoemission and absorption, of solids with correlated approaches such as configuration interaction and coupled cluster theory. These methods have already been applied very successfully to atoms and molecules but a general approach for solids is still lacking. This project aims to fill this gap. We will use periodic Clifford boundary conditions to simulate the solid, i.e. we will modify the topology of a supercell, which contains several unit cells of the solid, into the topology of a Clifford torus which is a real, flat, closed 3D Euclidean space embedded in a complex Euclidean space.

Contexte de travail

Numerical simulation on a computer

Contraintes et risques

NA