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Pierre-Francois Loos 2021-01-14 15:11:30 +01:00
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Manuscript/sfBSE.tex
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\email{loos@irsamc.ups-tlse.fr} \email{loos@irsamc.ups-tlse.fr}
\affiliation{\LCPQ} \affiliation{\LCPQ}
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\begin{abstract} \begin{abstract}
Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe-Salpeter equation (BSE) formalism in its static approximation is ``blind'' to double (and higher) excitations, which are, for example, ubiquitous in conjugated molecules like polyenes. Like adiabatic time-dependent density-functional theory (TD-DFT), the Bethe-Salpeter equation (BSE) formalism in its static approximation is ``blind'' to double (and higher) excitations, which are, for example, ubiquitous in conjugated molecules like polyenes.
Here, we apply the spin-flip technique (which consists in considering the lowest triplet state as the reference configuration instead of the singlet ground state) to the BSE formalism of many-body perturbation theory in order to access double excitations. Here, we apply the spin-flip technique (which consists in considering the lowest triplet state as the reference configuration instead of the singlet ground state) to the BSE formalism of many-body perturbation theory in order to access double excitations.