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Pierre-Francois Loos 2020-08-30 13:05:09 +02:00
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Cover_Letter/CoverLetter.tex
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@ -17,7 +17,7 @@ This contribution fits nicely in the section \textit{``Theoretical Methods and A
This contribution has never been submitted in total nor in parts to any other journal, and has been seen and approved by all authors.
In the present manuscript, we discuss, in a pedagogical way, the physics of dynamical (i.e., frequency-dependent) kernels for the computation of optical excitations within linear response theory.
In particular, we consider three dynamical kernels, namely i) an a priori built kernel inspired by the dressed TD-DFT kernel of Maitra and coworkers, ii) the dynamical kernel stemming from the BSE formalism derived originally by Strinati, and iii) the second-order BSE kernel derived first by the group of Weitao Yang.
In particular, we consider three dynamical kernels, namely i) an a priori built kernel inspired by the dressed TD-DFT kernel of Maitra and coworkers, ii) the dynamical kernel stemming from the BSE formalism derived originally by Strinati, and iii) the second-order BSE kernel derived first by the groups of Weitao Yang and Julien Toulouse.
The principal take-home message of the present paper is that dynamical kernels have much more to give that one would think.
In more scientific terms, dynamical kernels can provide, thanks to their frequency-dependent nature, additional excitations that can be associated to higher-order excitations (such as the infamous double excitations).
However, they sometimes give too much, and generate spurious excitations, i.e., excitation which does not corresponds to any physical excited state.

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dynker.bib
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%% This BibTeX bibliography file was created using BibDesk.
%% http://bibdesk.sourceforge.net/
%% Created for Pierre-Francois Loos at 2020-08-29 20:19:19 +0200
%% Created for Pierre-Francois Loos at 2020-08-29 21:09:55 +0200
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@ -56,9 +56,10 @@
@misc{Loos_2020e,
Archiveprefix = {arXiv},
Author = {Pierre-Fran{\c c}ois Loos and Xavier Blase},
Date-Modified = {2020-08-27 21:23:51 +0200},
Author = {Pierre-Francois Loos and Xavier Blase},
Date-Modified = {2020-08-29 20:57:02 +0200},
Eprint = {2007.13501},
Howpublished = {(submitted to J. Chem. Phys.)},
Primaryclass = {physics.chem-ph},
Title = {{{Dynamical Correction to the Bethe-Salpeter Equation Beyond the Plasmon-Pole Approximation}}},
Year = {2020}}

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dynker.tex
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@ -728,6 +728,11 @@ We would like to thank Xavier Blase, Elisa Rebolini, Pina Romaniello, Arjan Berg
PFL thanks the European Research Council (ERC) under the European Union's Horizon 2020 research and innovation programme (Grant agreement No.~863481) for financial support.
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\section*{Data availability statement}
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The data that supports the findings of this study are available within the article
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\bibliography{dynker}
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