50 lines
2.5 KiB
TeX
50 lines
2.5 KiB
TeX
\documentclass[10pt]{letter}
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\usepackage{UPS_letterhead,xcolor,mhchem,mathpazo,ragged2e}
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\newcommand{\alert}[1]{\textcolor{red}{#1}}
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\definecolor{darkgreen}{HTML}{009900}
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\begin{document}
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\begin{letter}%
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{To the Editors of the Journal of Chemical Physics}
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\opening{Dear Editors,}
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\justifying
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Please find enclosed our manuscript entitled
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\begin{quote}
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\textit{``A weight-dependent local correlation density-functional approximation for ensembles''},
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\end{quote}
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which we would like you to consider as a Regular Article in the \textit{Journal of Chemical Physics}.
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This contribution fits nicely in the section \textit{``Theoretical Methods and Algorithms''}.
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This contribution has never been submitted in total nor in parts to any other journal, and has been seen and approved by all authors.
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To the best of our knowledge, the present article reports, for the first
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time, a local \textit{weight-dependent} correlation density-functional
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approximation that incorporates information about both ground and excited states in the context of density-functional theory for ensembles (eDFT).
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This density-functional approximation for ensembles is specially
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designed for the computation of single and double excitations within
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Gross-Oliveira-Kohn (GOK) DFT (i.e., eDFT for neutral excitations), and can be seen as a natural extension of the ubiquitous local-density approximation in the case of ensembles.
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We show that the present weight-dependent correlation functional delivers accurate excitation energies for both single and double excitations in one-dimensional non-homogeneous many-electron systems.
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Comparison with TD-DFT shows that the present methodology is not only robust in the weakly-correlated regime, but also in presence of strong correlation where TD-DFT fails.
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Although the present weight-dependent functional has been specifically
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designed for one-dimensional systems, the methodology proposed here is
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general, {\it i.e.}, directly applicable to the construction of weight-dependent functionals for realistic three-dimensional systems, such as molecules and solids.
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Because of the large impact of our work in the DFT community and beyond, we expect it to be of interest to a wide audience within the chemistry and physics communities.
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We suggest Tim Gould, Stefano Pittalis, Leeor Kronik, Julien Toulouse, Evert Baerends, Trygve Helgaker, Paola Gori-Giorgi, and Aurora Pribram-Jones as potential referees.
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We look forward to hearing from you soon.
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\closing{Sincerely, the authors.}
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\end{letter}
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\end{document}
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