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Pierre-Francois Loos 2021-01-21 12:06:17 +01:00
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Manuscript/sfBSE.tex
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@ -206,11 +206,11 @@ Here, we apply the spin-flip \textit{ansatz} (which considers the lowest triplet
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 excited-state energies of the beryllium atom, the hydrogen molecule at various bond lengths, and cyclobutadiene in its rectangular and square-planar geometries.
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