A mathematical analysis of the GW0 method for computing electronic excited energies of molecules

Abstract

This paper analyses the GW method for finite electronic systems. In a first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then discuss the GW equations which construct an approximation of the one-body Green's function, and give a rigorous mathematical formulation of these equations. Finally, we study the well-posedness of the GW0 equations, proving the existence of a unique solution to these equations in a perturbative regime.

References in corpus (3)

• Unified description of ground and excited states of finite systems: the self-consistent GW approach
• Self-consistent GW: All-electron implementation with localized basis functions
• A mathematical formulation of the random phase approximation for crystals

Cited by in corpus (4)

• Low-order Scaling $G_0{W}_0$ by Pair Atomic Density Fitting
• GW100: A Slater Type Orbital Perspective
• Scalable Molecular GW Calculations: Valence and Core Spectra
• A mathematical analysis of the adiabatic Dyson equation from time-dependent density functional theory