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

DOI10.1142/S0129055X16500082zbMath1456.81185arXiv1506.01737MaRDI QIDQ5739298

David Gontier, Gabriel Stoltz, Eric Cancès

Publication date: 15 July 2016

Published in: Reviews in Mathematical Physics (Search for Journal in Brave)

Full work available at URL: https://arxiv.org/abs/1506.01737

zbMATH Keywords

Green's functionsresponse functionselectronic structure calculationelectronic excited statesmany-body perturbation theoryGW approximation

Mathematics Subject Classification ID

Perturbation theories for operators and differential equations in quantum theory (81Q15) Molecular physics (81V55) Applications of operator theory in chemistry and life sciences (47N60) Bethe-Salpeter and other integral equations arising in quantum theory (81Q40) Green's functions for elliptic equations (35J08)

Related Items (3)

Low rank approximation in \(G_0W_0\) calculations ⋮ Modified-operator method for the calculation of band diagrams of crystalline materials ⋮ A mathematical analysis of the GW0 method for computing electronic excited energies of molecules

Cites Work

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• The electron density is smooth away from Nuclei
• Time-dependent density functional theory
• Causality and dispersion relations for fixed momentum transfer
• A mathematical analysis of the GW0 method for computing electronic excited energies of molecules

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