minor additions in intro

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Pierre-Francois Loos 2020-06-11 11:28:46 +02:00
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@ -269,7 +269,8 @@ These higher excitations would be explicitly present in the BSE Hamiltonian by `
Based on a simple two-level model which permits to analytically solve the dynamical equations, Romaniello and coworkers \cite{Romaniello_2009b,Sangalli_2011} evidenced that one can genuinely access additional excitations by solving the non-linear, frequency-dependent eigenvalue problem.
For this particular system, it was shown that a BSE kernel based on the random-phase approximation (RPA) produces indeed double excitations but also unphysical excitations. \cite{Romaniello_2009b}
The appearance of these spurious excitations was attributed to the self-screening problem. \cite{Romaniello_2009a}
This was fixed in a follow-up paper by Sangalli \textit{et al.} \cite{Sangalli_2011} thanks to the design of a number-conserving approach based on the second RPA. \cite{Wambach_1988}
This was fixed in a follow-up paper by Sangalli \textit{et al.} \cite{Sangalli_2011} thanks to the design of a number-conserving approach based on the folding of the second-RPA Hamiltonian, \cite{Wambach_1988} which includes explicitly both single and double excitations.
By computing the polarizability of two unsaturated hydrocarbon chains, \ce{C8H2} and \ce{C4H6}, they showed that their approach produces the correct number of physical excitations.
Finally, let us mention efforts to borrow ingredients from BSE in order to go beyond the adiabatic approximation of TD-DFT.
For example, Huix-Rotllant and Casida \cite{Casida_2005,Huix-Rotllant_2011} proposed a nonadiabatic correction to the xc kernel using the formalism of superoperators, which includes as a special case the dressed TD-DFT method of Maitra and coworkers. \cite{Maitra_2004,Cave_2004,Elliott_2011,Maitra_2012}