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

Eric Cancés; David Gontier; Gabriel Stoltz

doi:10.1142/S0129055X16500082

A mathematical analysis of the GW ^o method for computing electronic excited energies of molecules

Research output: Contribution to journal › Article › peer-review

Abstract

This article is concerned with the GW method for finite electronic systems. In the first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then give a rigorous mathematical formulation of the GW0 equations, and study the well-posedness of these equations, proving the existence of a unique solution in a perturbative regime.

Original language	English
Article number	16500082
Journal	Reviews in Mathematical Physics
Volume	28
Issue number	4
DOIs	https://doi.org/10.1142/S0129055X16500082
Publication status	Published - 1 May 2016

Keywords

Electronic excited states
Electronic structure calculation
GW approximation
Green's functions
Many-body perturbation theory
Response functions

Access to Document

10.1142/S0129055X16500082

Cite this

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title = "A mathematical analysis of the GW o method for computing electronic excited energies of molecules",

abstract = "This article is concerned with the GW method for finite electronic systems. In the first step, we provide a mathematical framework for the usual one-body operators that appear naturally in many-body perturbation theory. We then give a rigorous mathematical formulation of the GW0 equations, and study the well-posedness of these equations, proving the existence of a unique solution in a perturbative regime.",

keywords = "Electronic excited states, Electronic structure calculation, GW approximation, Green's functions, Many-body perturbation theory, Response functions",

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AU - Gontier, David

AU - Stoltz, Gabriel

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KW - Electronic excited states

KW - Electronic structure calculation

KW - GW approximation

KW - Green's functions

KW - Many-body perturbation theory

KW - Response functions

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DO - 10.1142/S0129055X16500082

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