diff --git a/Manuscript/sfBSE.tex b/Manuscript/sfBSE.tex index 8164012..d13308b 100644 --- a/Manuscript/sfBSE.tex +++ b/Manuscript/sfBSE.tex @@ -24,7 +24,11 @@ \affiliation{\LCPQ} \begin{abstract} -\alert{Here comes the 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. +Here, we apply the spin-flip technique to the BSE formalism of many-body perturbation theory in order to access double excitations. +The present scheme is based on a spin-unrestricted version of the $GW$ approximation employed to compute the charged excitations and screened Coulomb potential required for the BSE calculations. +Dynamical corrections to the static BSE optical excitations are taken into account via an unrestricted generalization of our recently developed (renormalized) perturbative treatment. +The performance of the present spin-flip BSE formalism is illustrated by computing the vertical excitation energies of the beryllium atom, the hydrogen molecule, and cyclobutadiene. %\bigskip %\begin{center} % \boxed{\includegraphics[width=0.5\linewidth]{TOC}}