Faddeev Random Phase Approximation applied to molecules

TL;DR

This thesis develops the Faddeev Random Phase Approximation (FRPA) method and applies it to small atoms and molecules, addressing RPA instabilities in dissociation limits and simplified models.

Contribution

It derives the equations for FRPA and demonstrates its application to molecular systems and model Hamiltonians, exploring stability issues.

Findings

FRPA equations are successfully derived and implemented.

RPA instabilities are analyzed in dissociation limits.

FRPA provides insights into electron correlation in 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.