Double excitations in correlated systems: A many–body approach

Davide Sangalli; Pina Romaniello; Giovanni Onida; Andrea Marini

doi:10.1063/1.3518705

Journal articles

Double excitations in correlated systems: A many–body approach

Davide Sangalli ^{1, 2, 3} Pina Romaniello ^{3, 4} Giovanni Onida ³ Andrea Marini ^{3, 5, 6, 7}

1 CNISM - Consorzio Nazionale Interuniversitario per le Scienze FIsiche della Materia

2 Dipartimento di Fisica

3 ETSF - European Theoretical Spectroscopy Facility

4 LSI - Laboratoire des Solides Irradiés

5 Dipartimento di Fisica

6 IKERBASQUE

7 Nano-Bio Spectroscopy Group

Abstract : A coherent approach to the description of double excitations in correlated materials is presented: We derive stringent mathematical conditions on the algebraical structure of the Bethe–Salpeter and time-dependent density functional theory kernels that avoid the occurrence of spurious and nonphysical excitations. We discuss how these conditions need to be respected at any level of approximation, including the commonly used local density and static screening approximations. We propose a correlated kernel for the Bethe–Salpeter equation, and we illustrate several aspects of our approach with numerical calculations for model molecular systems.

Keywords : Bethe-Salpeter equation density functional theory excitons many-body problems

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Journal articles

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https://hal-polytechnique.archives-ouvertes.fr/hal-00564857
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Submitted on : Thursday, February 10, 2011 - 11:48:06 AM
Last modification on : Wednesday, May 19, 2021 - 3:15:02 AM

Double excitations in correlated systems: A many–body approach

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Double excitations in correlated systems: A many–body approach

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