A mathematical analysis of the GW0 method for computing electronic excited state energies of molecules - Archive ouverte HAL
Article Dans Une Revue Reviews in Mathematical Physics Année : 2016

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

Résumé

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.

Dates et versions

hal-01160926 , version 1 (08-06-2015)

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Eric Cancès, David Gontier, Gabriel Stoltz. A mathematical analysis of the GW0 method for computing electronic excited state energies of molecules. Reviews in Mathematical Physics, 2016, 28 (4), pp.1650008. ⟨10.1142/S0129055X16500082⟩. ⟨hal-01160926⟩
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