Coupled cluster Green's function-Past, Present, and Future

TL;DR

This paper reviews the evolution, recent developments, and future prospects of the coupled cluster Green's function (CCGF) method, emphasizing its importance in electronic structure calculations for molecules and materials.

Contribution

It provides a comprehensive overview of CCGF's history, recent advancements, scalable software, and potential future applications in electronic structure theory.

Findings

Recent CCGF applications in molecular and material science

Development of scalable CCGF software

Potential future applications in electronic structure calculations

Abstract

Coupled cluster Green's function (CCGF) approach has drawn much attention in recent years for targeting the molecular and material electronic structure problems from a many-body perspective in a systematically improvable way. Here, we will present a brief review of the history of how the Green's function method evolved with the wavefunction, early and recent development of CCGF theory, and more recently scalable CCGF software development. We will highlight some of the recent applications of CCGF approach and propose some potential applications that would emerge in the near future.