Faddeev Random Phase Approximation applied to molecules

Abstract

This Ph.D. thesis derives the equations of the Faddeev Random Phase Approximation (FRPA) and applies the method to a set of small atoms and molecules. The occurence of RPA instabilities in the dissociation limit is addressed in molecules and by the study of the Hubbard molecule as a test system with reduced dimensionality.

Ph.D. thesis

References in corpus (8)

• First-principles GW calculations for fullerenes, porphyrins, phtalocyanine, and other molecules of interest for organic photovoltaic applications
• The Ground State Correlation Energy of the Random Phase Approximation from a Ring Coupled Cluster Doubles Approach
• Unified description of ground and excited states of finite systems: the self-consistent GW approach
• Beyond the GW approximation: combining correlation channels
• Quasiparticle and quasihole states of nuclei around 56Ni
• Quasiparticles in Neon using the Faddeev Random Phase Approximation
• Variational determination of the two-particle density matrix as a quantum many-body technique
• Self-consistency and vertex corrections beyond the GW approximation