publications

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Pierre-Francois Loos 2025-01-09 15:20:09 +01:00
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\begin{etaremune} \begin{etaremune}
\item
\href{https://arxiv.org/pdf/2412.14945}{Excited-state-specific Kohn-Sham formalism for the asymmetric Hubbard dimer},\\
\textbf{P. F. Loos*} and S. Giarrusso,\\
\textit{J. Chem. Phys.} (submitted).
\item
\href{https://arxiv.org/pdf/2411.13167}{Anomalous propagators and the particle-particle channel: Bethe-Salpeter equation},\\
A. Marie*, P. Romaniello, X. Blase, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.} (submitted).
\item
\href{https://arxiv.org/pdf/2410.03620}{Time-reversal symmetry in RDMFT and pCCD with complex-valued orbitals},\\
M. Rodriguez-Mayorga*, \textbf{P. F. Loos}, F. Bruneval, and L. Visscher,\\
\textit{J. Chem. Phys.} (submitted).
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/147.pdf}{Reference CC3 excitation energies for organic chromophores: benchmarking TD-DFT, BSE/GW and wave function methods},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/147.pdf}{Reference CC3 excitation energies for organic chromophores: benchmarking TD-DFT, BSE/GW and wave function methods},\\
I. Knysh, F. Lipparini, I. Duchemin, X. Blase, \textbf{P. F. Loos*}, and D. Jacquemin*,\\ I. Knysh, F. Lipparini, I. Duchemin, X. Blase, \textbf{P. F. Loos*}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, (in press). \textit{J. Chem. Theory Comput.}, \textbf{2024}, \textit{20}, 8152.
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/146.pdf}{Selected configuration interaction for resonances},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/146.pdf}{Selected configuration interaction for resonances},\\
@ -50,12 +65,12 @@
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/145.pdf}{Improved modularity and new features in ipie: towards even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/145.pdf}{Improved modularity and new features in ipie: towards even larger AFQMC calculations on CPUs and GPUs at zero and finite temperatures},\\
T. Jiang, M. K. A. Baumgarten, P. F. Loos, A. Mahajan, A. Scemama, J. Zhang, F. D. Malone, and J. Lee*,\\ T. Jiang, M. K. A. Baumgarten, P. F. Loos, A. Mahajan, A. Scemama, J. Zhang, F. D. Malone, and J. Lee*,\\
\textit{J. Chem. Phys.}, \textbf{2024}, (submitted). \textit{J. Chem. Phys.}, \textbf{2024}, \textit{161}, 162502.
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/144.pdf}{Anomalous propagators and the particle-particle channel: Hedins equations},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/144.pdf}{Anomalous propagators and the particle-particle channel: Hedins equations},\\
A. Marie*, P. Romaniello, and \textbf{P. F. Loos*},\\ A. Marie*, P. Romaniello, and \textbf{P. F. Loos*},\\
\textit{Phys. Rev. B}, \textbf{2024}, (in press). \textit{Phys. Rev. B}, \textbf{2024}, \textit{110}, 115155.
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/143.pdf}{Compactification of determinant expansions via transcorrelation},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/143.pdf}{Compactification of determinant expansions via transcorrelation},\\
@ -70,7 +85,7 @@
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/141.pdf}{Cumulant Green's function methods for molecules},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/141.pdf}{Cumulant Green's function methods for molecules},\\
\textbf{P. F. Loos*}, A. Marie, and A. Ammar,\\ \textbf{P. F. Loos*}, A. Marie, and A. Ammar,\\
\textit{Faraday Discuss.}, (in press). \textit{Faraday Discuss.}, \textbf{2024}, \textit{254}, 240.
\item \item
\href{https://pfloos.github.io/WEB_LOOS/pub/140.pdf}{Reference energies for valence ionizations and satellite transitions},\\ \href{https://pfloos.github.io/WEB_LOOS/pub/140.pdf}{Reference energies for valence ionizations and satellite transitions},\\