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Pierre-Francois Loos 2020-05-19 13:02:16 +02:00
parent 435d68e338
commit 9b92091cfc
1 changed files with 2 additions and 2 deletions
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BSEdyn.tex
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@ -219,7 +219,7 @@ Taking the optical gap (\ie, the lowest optical excitation energy) as an example
\end{equation}
which is itself a corrected version of the Kohn-Sham (KS) gap
\begin{equation}
\Eg^{\KS} = \eps_{\LUMO}^{\KS} - \varepsilon_{\HOMO}^{\KS} \ll \Eg^{\GW} < \EgFun,
\Eg^{\KS} = \eps_{\LUMO}^{\KS} - \varepsilon_{\HOMO}^{\KS} \ll \Eg^{\GW} \simeq \EgFun,
\end{equation}
in order to approximate the optical gap
\begin{equation}
@ -349,7 +349,7 @@ $$
\left| \frac{ 1 }{ \Omega_{ib}^{s} - \Omega_m^{RPA} } \right|
< \frac{1}{ \Omega_m^{RPA} }
$$
This leads to reduced electron-hole screening, namely larger electron-hole stabilising binding energy, as compared to the standard adiabatic BSE, leading to smaller (blue-shifted) excitation energies. }
This leads to reduced electron-hole screening, namely larger electron-hole stabilising binding energy, as compared to the standard adiabatic BSE, leading to smaller (red-shifted) excitation energies. }
%In order to compute the neutral (optical) excitations of the system and their associated oscillator strengths, the BSE expresses the two-body propagator \cite{Strinati_1988, Martin_2016}