Strategies to build functionals of the density, or functionals of Green's functions: what can we learn?

TL;DR

This paper examines various strategies for constructing functionals of Green's functions and densities in many-body problems, comparing their justifications and exploring optimal starting points for approximations beyond traditional models.

Contribution

It provides a comparative analysis of different functional construction strategies, including the use of connector approximations and models beyond the homogeneous electron gas.

Findings

Comparison of functionals based on Green's functions and charge density

Insights into optimal starting points for non-local quantity approximations

Discussion on the advantages of building functionals of the density

Abstract

The many-body problem can in general not be solved exactly, and one of the most prominent approximations is to build perturbation expansions. A huge variety of expansions is possible, which differ by the quantity to be expanded, the expansion variable, the starting point, and ideas how to resum or terminate the series. Although much has been discussed and much has been done, some choices were made for historical reasons, in particular, limited computation or storage capacities. The present work aims at examining the justifications for different choices made in different contexts, by comparing ingredients of functionals based on \GF s on one side, and on the charge density on the other side. Of particular interest will be the question of how to build an optimal starting point for the approximation of non-local quantities, making use of near- or far-sightedness, and daring to consider models beyond the homogeneous electron gas. This will include the use of connector approximations. We will also discuss why it is a good idea to build functionals of the density.