loos/CV
1
0
Fork 0
Code Issues Pull Requests Projects Releases Wiki Activity
d3a40bc9f0
CV/Publications/Publications_Loos.tex
pfloos d3a40bc9f0 update
2022-06-19 21:35:03 +02:00

633 lines
33 KiB
TeX
Raw Blame History

\documentclass[a4paper,11pt,noindent]{article}
\usepackage{mathpazo,libertine}
\usepackage[version=4]{mhchem}
\usepackage{amsmath,amsfonts,amssymb,bm,microtype,graphicx,wrapfig,geometry,physics,eurosym,multirow,xcolor,fullpage,etaremune}
\usepackage{hyperref}
\hypersetup{
colorlinks=true,
linkcolor=cyan,
filecolor=magenta,
urlcolor=blue,
citecolor=purple
}
\definecolor{darkgreen}{RGB}{0, 180, 0}
\definecolor{fooblue}{RGB}{0,153,255}
\definecolor{fooyellow}{RGB}{234,187,0}
\definecolor{lavender}{rgb}{0.71, 0.49, 0.86}
\definecolor{inchworm}{rgb}{0.7, 0.93, 0.36}
\newcommand{\violet}[1]{\textcolor{lavender}{#1}}
\newcommand{\purple}[1]{\textcolor{purple}{#1}}
\newcommand{\blue}[1]{\textcolor{blue}{#1}}
\newcommand{\green}[1]{\textcolor{darkgreen}{#1}}
\newcommand{\yellow}[1]{\textcolor{fooyellow}{#1}}
\newcommand{\red}[1]{\textcolor{red}{#1}}
\newcommand{\highlight}[1]{\textcolor{fooblue}{\textbf{#1}}}
\newcommand{\alert}[1]{\textcolor{red}{#1}}
\title{Publications}
\author{Pierre-Fran\c{c}ois Loos}
\date{}
\begin{document}
\maketitle
\begin{etaremune}
\item \href{https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/62974da519595958f0bcc339/original/dft-exchange-sharing-perspectives-on-the-workhorse-of-quantum-chemistry-and-materials-science.pdf}{DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science},\\
A. M. Teale,* T. Helgaker,* A. Savin,* C. Adamo, B. Aradi, A. V. Arbuznikov, P. W. Ayers, E. J. Baerends, V. Barone, P. Calaminici, E. Cancès, E. A. Carter, P. K. Chattaraj, H. Chermette, I. Ciofini, T. D. Crawford, F. De Proft, J. F. Dobson, C. Draxl, T. Frauenheim, E. Fromager, P. Fuentealba, L. Gagliardi, G. Galli, J. Gao, P. Geerlings, N. Gidopoulos, P. M. W. Gill, P. Gori-Giorgi, A. Görling, T. Gould, S. Grimme, O. Gritsenko, H. J. A. Jensen, E. R. Johnson, R. O. Jones, M. Kaupp, A. M. Köster, L. Kronik, A. I. Krylov, S. Kvaal, A. Laestadius, M. Levy, M. Lewin, S. Liu, \textbf{P. F. Loos}, N. T. Maitra, F. Neese, J. P. Perdew, K. Pernal, P. Pernot, P. Piecuch, E. Rebolini, L. Reining, P. Romaniello, A. Ruzsinszky, D. R. Salahub, M. Scheffler, P. Schwerdtfeger, V. N. Staroverov, J. Sun, E. Tellgren, D. J. Tozer, S. B. Trickey, C. A. Ullrich, A. Vela, G. Vignale, T. A. Wesolowski, W. Yang, and X. Xu.\\
\textit{Phys. Chem. Chem. Phys.}, \textbf{2022}, \textit{} (submitted).
\item
\href{https://arxiv.org/pdf/2204.11658.pdf}{A mountaineering strategy to excited states: revising reference values with EOM-CC4},\\
\textbf{P. F. Loos*}, F. Lipparini, D. A. Matthews, A. Blondel, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2022}, \textit{} (in press).
\item
\href{https://arxiv.org/pdf/2204.06480.pdf}{Benchmarking CASPT3 vertical excitation energies},\\
M. Boggio-Pasqua*, D. Jacquemin*, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2022}, \textit{} (in press).
\item
\href{https://arxiv.org/pdf/2204.05098.pdf}{Reference energies for cyclobutadiene: automerization and excited states},\\
E. Monino*, M. Boggio-Pasqua, A. Scemama, D. Jacquemin, and \textbf{P. F. Loos*},\\
\textit{J. Phys. Chem. A}, \textbf{2022}, \textit{} (submitted).
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/114.pdf}{Hierarchy configuration interaction: combining seniority number and excitation degree},\\
F. Kossoski*, Y. Damour, and \textbf{P. F. Loos*},\\
\textit{J. Phys. Chem. Lett.}, \textbf{2022}, \textit{13}, 4342.
\item
\href{https://arxiv.org/pdf/2203.05246.pdf}{Transient uniform electron gases},\\
\textbf{P. F. Loos*} and M. Seidl,\\
\textit{Mol. Phys.}, \textbf{2022}, \textit{} (in press).
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/112.pdf}{Unphysical discontinuities, intruder states and regularization in $GW$ methods},\\
E. Monino and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2022}, \textit{156}, 231101.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/111.pdf}{Static and dynamic Bethe-Salpeter equations in the $T$-matrix approximation},\\
\textbf{P. F. Loos*} and P. Romaniello*,\\
\textit{J. Chem. Phys.}, \textbf{2022}, \textit{156}, 164101.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/110.pdf}{Assessing the performances of CASPT2 and NEVPT2 for vertical excitation energies},\\
R. Sarka, \textbf{P. F. Loos} , M. Boggio-Pasqua*, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2022}, \textit{18}, 2418.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/109.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for bicyclic systems},\\
\textbf{P. F. Loos*} and D. Jacquemin*,\\
\textit{J. Phys. Chem. A}, \textbf{2021}, \textit{125}, 10174.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/108.pdf}{Accurate full configuration interaction correlation energy estimates for five- and six-membered rings},\\
Y. Damour, M. V\'eril, F. Kossoski, M. Caffarel, D. Jacquemin*, A. Scemama*, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155}, 134104.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/107.pdf}{Scrutinizing GW-based methods using the Hubbard dimer},\\
S. Di Sabatino*, \textbf{P. F. Loos}, and P. Romaniello,\\
\textit{Front. Chem.}, \textbf{2021}, \textit{9}, 751054.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/106.pdf}{Variational coupled cluster for ground and excited states},\\
A. Marie, F. Kossoski, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155}, 104105.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/105.pdf}{Variations of the Hartree-Fock fractional-spin error for one electron},\\
H. G. A. Burton*, C. Marut, T. J. Daas, P. Gori-Giorgi, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2021}, \textit{155}, 054107.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/104.pdf}{How accurate are EOM-CC4 vertical excitation energies?},\\
\textbf{P. F. Loos*}, D. A. Matthews, F. Lipparini, and D. Jacquemin*,\\
\textit{J. Chem. Phys.}, \textbf{2021}, \textit{154}, 221103.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/103.pdf}{Excited states from state-specific orbital-optimized pair coupled-cluster},\\
F. Kossoski*, A. Marie, A. Scemama, M. Caffarel, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 4756.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/102.pdf}{Reference energies for intramolecular charge-transfer excitations},\\
\textbf{P. F. Loos*}, M. Comin, X. Blase*, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 3666.
\item
(Book chapter) \href{https://www.irsamc.ups-tlse.fr/loos/pub/101.pdf}{Spin-adapted selected configuration interaction in a determinant basis},\\
V. G. Chilkuri, T. Applencourt, K. Gasperich, \textbf{P. F. Loos}, and A. Scemama*,\\
\textit{Adv. Quantum Chem.}, \textbf{2021}, \textit{83}, 65.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/100.pdf}{Spin-conserved and spin-flip optical excitations from the Bethe-Salpeter equation formalism},\\
E. Monino and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 2852.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/99.pdf}{Perturbation theory in the complex plane: exceptional points and where to find them},\\
A. Marie, H. G. A. Burton*, and \textbf{P. F. Loos*},\\
\textit{J. Phys. Cond. Mat.}, \textbf{2021}, \textit{33}, 283001.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/98.pdf}{QUESTDB: a database of highly-accurate excitation energies for the electronic structure community},\\
M. V\'eril, A. Scemama, M. Caffarel, F. Lipparini, M. Boggio-Pasqua, D. Jacquemin*, and \textbf{P. F. Loos*},\\
\textit{WIREs Comput. Mol. Sci.}, \textbf{2021}, \textit{11} e1517.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/97.pdf}{Benchmarking TD-DFT and wave function methods for oscillator strengths and excited-state dipole moments},\\
R. Sarkar, M. Boggio-Pasqua, \textbf{P. F. Loos*}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 1106.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/96.pdf}{Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach},\\
J. A. Berger*, \textbf{P. F. Loos}, and P. Romaniello,\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 191.
\item
\href{https://www.irsamc.ups-tlse.fr/loos/pub/95.pdf}{A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules},\\
A. Chrayteh, A. Blondel, \textbf{P. F. Loos}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2021}, \textit{17}, 416.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/94.pdf}{Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems},\\
C. Marut, B. Senjean, E. Fromager, and \textbf{P. F. Loos*},\\
\textit{Faraday Discuss.}, \textbf{2021}, \textit{224}, 402.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/93.pdf}{Dynamical kernels for optical excitations},\\
J. Authier and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 184105.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/92.pdf}{The performance of CIPSI on the ground state electronic energy of benzene},\\
\textbf{P. F. Loos*}, Y. Damour, and A. Scemama*,\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 176101.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/91.pdf}{Taming the fixed-node error in diffusion Monte Carlo via range separation},\\
A. Scemama*, E. Giner*, A. Benali*, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 174107.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/90.pdf}{Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation},\\
\textbf{P. F. Loos*} and X. Blase*,\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153}, 114120.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/89.pdf}{Towards a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids: A case study in diamond},\\
A. Benali*, K. Gasperich, K. D. Jordan, T. Applencourt, Y. Luo, C. Bennett, J. T. Krogel, L. Shulenburger, P. R. C. Kent, \textbf{P. F. Loos}, A. Scemama, and M. Caffarel*,\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{153} 184111.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/88.pdf}{The Bethe-Salpeter equation formalism: from physics to chemistry},\\
X. Blase*, I. Duchemin, D. Jacquemin, and \textbf{P. F. Loos*},\\
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 7371.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/87.pdf}{Weight-dependent density-functional approximations for ensemble density-functional theory},\\
\textbf{P. F. Loos*}, and E. Fromager*,\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 214101 [Editor's pick].
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/86.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for medium size molecules},\\
\textbf{P. F. Loos*}, A. Scemama, M. Boggio-Pasqua, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2020}, \textit{16}, 3720.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/85.pdf}{Pros and cons of the Bethe-Salpeter formalism for ground-state energies},\\
\textbf{P. F. Loos*}, A. Scemama, I. Ducheminm, D. Jacquemin*, and X. Blase*,\\
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 3536.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/84.pdf}{A basis-set error correction based on density-functional theory for strongly correlated molecular systems},\\
E. Giner*, A. Scemama, \textbf{P. F. Loos*}, and J. Toulouse*,\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 174104 [Editor's pick].
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/83.pdf}{The quest for highly accurate excitation energies: a computational perspective},\\
\textbf{P. F. Loos*}, A. Scemama, and D. Jacquemin*,\\
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 2374.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/82.pdf}{A mountaineering strategy to excited states: highly-accurate energies and benchmarks for medium size molecules},\\
\textbf{P. F. Loos*}, F. Lipparini, M. Boggio-Pasqua, A. Scemama, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2020}, \textit{16}, 1711.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/81.pdf}{Is ADC(3) as accurate as CC3 for valence and Rydberg excitation energies?},\\
\textbf{P. F. Loos*}, and D. Jacquemin*,\\
\textit{J. Phys. Chem. Lett.}, \textbf{2020}, \textit{11}, 974.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/80.pdf}{A density-based basis-set incompleteness correction for $GW$ methods},\\
\textbf{P. F. Loos*}, B. Pradines, A. Scemama, E. Giner, and J. Toulouse*,\\
\textit{J. Chem. Theory Comput.} (in press).
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/79.pdf}{Capturing static and dynamic correlation with $\Delta$NO-MP2 and $\Delta$NO-CCSD},\\
J. W. Hollett* and \textbf{P. F. Loos},\\
\textit{J. Chem. Phys.}, \textbf{2020}, \textit{152}, 014101.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/78.pdf}{Wigner localization at extremely low densities: a numerically exact study},\\
M. E. Azor, L. Brooke, S. Evangelisti*, T. Leininger, \textbf{P. F. Loos}, N. Suaud, and J. A. Berger*,\\
\textit{SciPost Phys. Core}, \textbf{2019}, \textit{1}, 001.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/77.pdf}{Chemically accurate excitation energies with small basis sets},\\
E. Giner*, A. Scemama, J. Toulouse, and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2019}, \textit{151}, 144118.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/76.pdf}{Cross comparisons between experiment, TD-DFT, CC and ADC for transition energies},\\
C. Suellen, R. Garcia Freitas, \textbf{P. F. Loos}, and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 4581.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/75.pdf}{A density-based basis-set correction for wave function theory},\\
\textbf{P. F. Loos*}, B. Pradines, A. Scemama, J. Toulouse*, and E. Giner*,\\
\textit{J. Phys. Chem. Lett.}, \textbf{2019}, \textit{10}, 2931.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/74.pdf}{Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo},\\
A. Scemama, M. Caffarel, A. Benali, D. Jacquemin and \textbf{P. F. Loos*},\\
\textit{Res. Chem.}, \textbf{2019}, \textit{1}, 100002.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/73.pdf}{Parity-Time symmetry in Hartree--Fock theory},\\
H. G. A. Burton*, A. J. W. Thom and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 4374.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/72.pdf}{Evaluating 0-0 energies with theoretical tools: a short review},\\
\textbf{P. F. Loos} and D. Jacquemin*,\\
\textit{ChemPhotoChem}, \textbf{2019}, \textit{3}, 684.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/71.pdf}{Quantum Package 2.0: an open-source determinant-driven suite of programs},\\
Y. Garniron, K. Gasperich, T. Applencourt, A. Benali, A. Fert\'e, J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P. Barbaresco, N. Renon, G. David, J. P. Malrieu, M. V\'eril, M. Caffarel, \textbf{P. F. Loos*}, E. Giner* and A. Scemama*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 3591.
\item
(Book chapter) \href{http://www.irsamc.ups-tlse.fr/loos/pub/70.pdf}{Self-consistent electron-nucleus cusp correction for molecular orbitals},\\
\textbf{P. F. Loos*}, A. Scemama and M. Caffarel,\\
\textit{Adv. Quantum Chem.}, \textbf{2019}, \textit{79}, 113.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/69.pdf}{Chemically accurate 0-0 energies with not-so-accurate excited state geometries},\\
\textbf{P. F. Loos} and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 2481.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/68.pdf}{Reference energies for double excitations},\\
\textbf{P. F. Loos*}, M. Boggio-Pasqua, A. Scemama, M. Caffarel and D. Jacquemin,\\
\textit{J. Chem. Theory Comput.}, \textbf{2019}, \textit{15}, 1939.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/67.pdf}{Complex adiabatic connection: a hidden non-hermitian path from ground to excited states},\\
H. G. A. Burton*, A. J. W. Thom* and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2019}, \textit{150}, 041103.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/66.pdf}{Unphysical discontinuities in GW methods},\\
M. V\'eril, P. Romaniello, J. A. Berger and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 5220.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/65.pdf}{Theoretical 0-0 energies with chemical accuracy},\\
\textbf{P. F. Loos}, N. Galland and D. Jacquemin*,\\
\textit{J. Phys. Chem. Lett.}, \textbf{2018}, \textit{9}, 4646.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/64.pdf}{Selected configuration interaction with dressed perturbation},\\
Y. Garniron, A. Scemama, E. Giner, M. Caffarel and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2018}, \textit{149}, 064103.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/63.pdf}{Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes},\\
A. Scemama, A. Benali, D. Jacquemin, M. Caffarel and \textbf{P. F. Loos*}, \\
\textit{J. Chem. Phys.}, \textbf{2018}, \textit{149}, 034108.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/62.pdf}{A mountaineering strategy to excited states: highly-accurate reference energies and benchmarks},\\
\textbf{P. F. Loos,*} A. Scemama, A. Blondel, Y. Garniron, M. Caffarel and D. Jacquemin*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 4360.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/61.pdf}{Distributed gaussian orbitals for the description of electrons in an external potential},\\
L. Brooke, A. Diaz-Marquez, S. Evangelisti*, T. Leininger, \textbf{P. F. Loos}, N. Suaud and J. A. Berger*,\\
\textit{J. Mod. Mol.}, \textbf{2018}, (in press).
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/60.pdf}{Green functions and self-consistency: insights from the spherium model},\\
\textbf{P. F. Loos*}, P. Romaniello and J. A. Berger,\\
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 3071.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/59.pdf}{Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS},\\
A. Scemama*, Y. Garniron, M. Caffarel and \textbf{P. F. Loos*},\\
\textit{J. Chem. Theory Comput.}, \textbf{2018}, \textit{14}, 1395.
\item
(Book chapter) \href{http://www.irsamc.ups-tlse.fr/loos/pub/58.pdf}{Recurrence relations for four-electron integrals over Gaussian basis functions},\\
G. M. J. Barca and \textbf{P. F. Loos*},\\
\textit{Adv. Quantum Chem.}, \textbf{2018}, \textit{76}, 147.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/57.pdf}{Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory},\\
Y. Garniron, A. Scemama*, \textbf{P. F. Loos} and M. Caffarel,\\
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 034101.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/56.pdf}{Three-electron and four-electron integrals involving Gaussian geminals: fundamental integrals, upper bounds and recurrence relations},\\
G. M. J. Barca and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 024103.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/55.pdf}{Iterative stochastic subspace self-consistent field method},\\
\textbf{P. F. Loos*}, J.-L. Rivail and X. Assfeld,\\
\textit{J. Mod. Mol.}, \textbf{2017}, \textit{23}, 173.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/54.pdf}{Exchange functionals based on finite uniform electron gases},\\
\textbf{P. F. Loos*},
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 114108.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/53.pdf}{Excited-state Wigner crystals},\\
F. J. M. Rogers and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 044114.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/52.pdf}{Molecular electronic structure in one-dimensional Coulomb systems},\\
C. J. Ball*, \textbf{P. F. Loos} and P. M. W. Gill,\\
\textit{Phys. Chem. Chem. Phys.}, \textbf{2017}, \textit{19}, 3987.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/51.pdf}{Symmetry-broken local-density approximation for one-dimensional systems},\\
F. J. M. Rogers, C. J. Ball and \textbf{P. F. Loos*},\\
\textit{Phys. Rev. B}, \textbf{2016}, \textit{93}, 235114.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/50.pdf}{The uniform electron gas},\\
\textbf{P. F. Loos*} and P. M. W. Gill,\\
\textit{WIREs Comput. Mol. Sci.}, \textbf{2016}, \textit{6}, 410.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/49.pdf}{Many-electron integrals over Gaussian basis functions. I. Recurrence relations for three-electron integrals},\\
G. M. J. Barca, \textbf{P. F. Loos*} and P. M. W. Gill*,\\
\textit{J. Chem. Theory Comput.}, \textbf{2016}, \textit{12}, 1735.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/48.pdf}{Natural occupation numbers in two-electron quantum rings},\\
V. Tognetti and \textbf{P. F. Loos},\\
\textit{J. Chem. Phys.}, \textbf{2016}, \textit{144}, 054108.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/47.pdf}{Three-electron coalescence points in two and three dimensions},\\
\textbf{P. F. Loos*}, N. J. Bloomfield and P. M. W. Gill,\\
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 181101.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/46.pdf}{Uniform electron gases: III. Low-density gases on three-dimensional spheres},\\
D. Agboola, A. L. Knol, P. M. W. Gill* and \textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 084114.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/45.pdf}{Nodal surfaces and interdimensional degeneracies},\\
\textbf{P. F. Loos*} and D. Bressanini,\\
\textit{J. Chem. Phys.}, \textbf{2015}, \textit{142}, 214112.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/44.pdf}{Chemistry in one dimension},\\
\textbf{P. F. Loos*}, C. J. Ball and P. M. W. Gill*,\\
\textit{Phys. Chem. Chem. Phys.}, \textbf{2015}, \textit{17}, 3196.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/43.pdf}{Basis functions for electronic structure calculations on spheres},\\
P. M. W. Gill*, \textbf{P. F. Loos*} and D. Agboola,\\
\textit{J. Chem. Phys.}, \textbf{2014}, \textit{141}, 244102.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/42.pdf}{Generalized local-density approximation and one-dimensional uniform electron gases},\\
\textbf{P. F. Loos*},
\textit{Phys. Rev. A}, \textbf{2014}, \textit{89}, 052523.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/41.pdf}{Uniform electron gases. II. The generalized local density approximation in one dimension},\\
\textbf{P. F. Loos*}, C. J. Ball and P. M. W. Gill*,\\
\textit{J. Chem. Phys.}, \textbf{2014}, \textit{140}, 18A524.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/40.pdf}{Exact wave functions for concentric two-electron systems},\\
\textbf{P. F. Loos*} and P. M. W. Gill,\\
\textit{Phys. Lett. A}, \textbf{2014}, \textit{378}, 329.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/39.pdf}{Distribution of $r_{12} \cdot p_{12}$ in quantum systems},\\
Y. A. Bernard. \textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Mol. Phys.}, \textbf{2013}, \textit{111}, 2414.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/38.pdf}{Uniform electron gases. I. Electrons on a ring},\\
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
\textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 164124.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/37.pdf}{High-density correlation energy expansion of the one-dimensional uniform electron gas},\\
\textbf{P. F. Loos*},\\
\textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 064108.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/36.pdf}{Understanding excitons using spherical geometry},\\
\textbf{P. F. Loos*,}\\
\textit{Phys. Lett. A}, \textbf{2012}, \textit{376}, 1997.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/35.pdf}{Harmonically trapped jellium model},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Mol. Phys.}, \textbf{2012}, \textit{108}, 083002.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/34.pdf}{Exact wave functions of two-electron quantum rings},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. Lett.}, \textbf{2012}, \textit{110}, 2337.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/33.pdf}{Leading-order behavior of the correlation energy in the uniform electron gas},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Int. J. Quantum Chem.}, \textbf{2012}, \textit{112}, 1712.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/32.pdf}{Uniform electron gases},\\
P. M. W. Gill* and \textbf{P. F. Loos},\\
\textit{Theor. Chem. Acc.}, \textbf{2012}, \textit{131}, 1069.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/31.pdf}{Thinking outside the box: the uniform electron gas on a hypersphere},\\
\textbf{P. F. Loos*} and P. M. W. Gill,\\
\textit{J. Chem. Phys.}, \textbf{2011}, \textit{135}, 214111.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/30.pdf}{Correlation energy of anisotropic quantum dots},\\
Y. Zhao*, \textbf{P. F. Loos*} and P. M. W. Gill*,\\
\textit{Phys. Rev. A}, \textbf{2011}, \textit{84}, 032513.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/29.pdf}{Correlation energy of the spin-polarized uniform electron gas at high density},\\
\textbf{P. F. Loos} and P. M. W. Gill,\\
\textit{Phys. Rev. B}, \textbf{2011}, \textit{84}, 033103.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/28.pdf}{Exact energy of the spin-polarized two-dimensional electron gas at high density},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. B}, \textbf{2011}, \textit{83}, 233102.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/27.pdf}{A tale of two electrons: correlation at high density},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Chem. Phys. Lett.}, \textbf{2010}, \textit{500}, 1.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/26.pdf}{Invariance of the correlation energy at high density and large dimension for two-electron systems},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. Lett.}, \textbf{2010}, \textit{105}, 113001.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/25.pdf}{Excited states of spherium},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Mol. Phys.}, \textbf{2010}, \textit{108}, 2527.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/24.pdf}{Correlation energy of two electrons in a ball},\\
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
\textit{J. Chem. Phys.}, \textbf{2010}, \textit{132}, 234111.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/23.pdf}{Ground state of two electrons on concentric spheres},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 052510.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/22.pdf}{Electronic absorption spectroscopy of Ru(II) polypyridyl DNA intercalators: a theoretical study},\\
D. Ambrosek, \textbf{P. F. Loos}, X. Assfeld and C. Daniel*,
\textit{J. Inorg. Biochem.}, \textbf{2010}, \textit{104}, 893.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/21.pdf}{Hooke's law correlation in two-electron systems},\\
\textbf{P. F. Loos*},\\
\textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 032510.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/20.pdf}{Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds},\\
E. Dumont*, \textbf{P. F. Loos}, A. D. Laurent and X. Assfeld,\\
\textit{Int. J. Quantum Chem.}, \textbf{2010}, \textit{110}, 513.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/19.pdf}{Correlation energy of two electrons in the high-density limit},\\
\textbf{P. F. Loos*} and P. M. W. Gill*,\\
\textit{J. Chem. Phys.}, \textbf{2009}, \textit{131}, 241101.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/18.pdf}{Two electrons on a hypersphere: a quasi-exactly solvable model},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. Lett.}, \textbf{2009}, \textit{103}, 123008.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/17.pdf}{Ground state of two electrons on a sphere},\\
\textbf{P. F. Loos} and P. M. W. Gill*,\\
\textit{Phys. Rev. A}, \textbf{2009}, \textit{79}, 062517.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/16.pdf}{Important effects of neighboring nucleotides on electron induced DNA single-strand breaks},\\
\textbf{P. F. Loos*}, E. Dumont, A. D. Laurent and X. Assfeld,\\
\textit{Chem. Phys. Lett.}, \textbf{2009}, \textit{475}, 120.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/15.pdf}{Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein},\\
E. Dumont*, A. D. Laurent, \textbf{P. F. Loos} and X. Assfeld,\\
\textit{J. Chem. Theor. Comput.}, \textbf{2009}, \textit{5}, 1700.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/14.pdf}{Factors governing electron capture by small disulfide loops in two-cysteines peptides},\\
E. Dumont*, \textbf{P. F. Loos} and X. Assfeld,\\
\textit{J. Phys. Chem. B}, \textbf{2008}, \textit{112}, 13661.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/13.pdf}{Huge disulfide-linkage's reducible potential variation induced by $\alpha$-helix orientation},\\
E. Dumont*, \textbf{P. F. Loos}, A. D. Laurent and X. Assfeld,\\
\textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 1171.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/12.pdf}{Effect of ring strain on disulfide electron attachment},\\
E. Dumont*, \textbf{P. F. Loos} and X. Assfeld,\\
\textit{Chem. Phys. Lett.}, \textbf{2008}, \textit{458}, 276.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/11.pdf}{Theoretical investigation of the geometries and UV/Vis spectra of Poly(L-glutamic acid) featuring photochromic azobenzene side chain},\\
\textbf{P. F. Loos*}, J. Preat, A. Laurent, C. Michaux, D. Jacquemin, E. A. Perpete and X. Assfeld,\\
\textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 637.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/10.pdf}{On the frontier bond location in the QM/MM description of the peptides and proteins},\\
\textbf{P. F. Loos*} and X. Assfeld,\\
\textit{AIP Conf. Proc.}, \textbf{2007}, \textit{963}, 308.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/9.pdf}{Removing the extra frontier parameters in QM/MM methods: a tentative with the Local Self-Consistent Field approach},\\
\textbf{P. F. Loos*}, A. Fornili, M. Sironi and X. Assfeld*,\\
\textit{Comput. Lett.} \textbf{2007}, \textit{4}, 473.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/8.pdf}{Core-ionized and core-excited states of macromolecules},\\
\textbf{P. F. Loos} and X. Assfeld*,\\
\textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 2343.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/7.pdf}{A TD-DFT investigation of UV spectra of pyrano\"idic dyes: a NCM vs. PCM comparison},\\
J. Preat*, \textbf{P. F. Loos}, X. Assfeld, D. Jacquemin and E. A. Perpete,\\
\textit{J. Mol. Struct. (THEOCHEM)}, \textbf{2007}, \textit{808}, 85.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/6.pdf}{Self-consistent strictly localized orbitals},\\
\textbf{P. F. Loos} and X. Assfeld*,\\
\textit{J. Chem. Theor. Comput.}, \textbf{2007}, \textit{3}, 1047.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/5.pdf}{Intramolecular interactions and cis peptidic bonds},\\
\textbf{P. F. Loos}, X. Assfeld and J.-L. Rivail*,\\
\textit{Theor. Chem. Acc.}, \textbf{2007}, \textit{118}, 165.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/4.pdf}{DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models},\\
J. Preat*, \textbf{P. F. Loos}, X. Assfeld, D. Jacquemin and E. A. Perpete,\\
\textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 574.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/3.pdf}{Electronic factors favouring the cis conformation in proline peptidic bonds},\\
J.-L. Rivail*, A. Bouchy and \textbf{P. F. Loos},\\
\textit{J. Argentine Chem. Soc.}, \textbf{2006}, \textit{94}, 19.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/2.pdf}{Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods},\\
A. Fornili, \textbf{P. F. Loos}, M. Sironi*, and X. Assfeld* ,\\
\textit{Chem. Phys. Lett.}, \textbf{2006}, \textit{427}, 236.
\item
\href{http://www.irsamc.ups-tlse.fr/loos/pub/1.pdf}{Solvent effects on the asymmetric Diels-Alder reaction between cyclopentadiene and (-)-menthyl acrylate revisited with the three-layer hybrid local self-consistent field/molecular mechanics/self-consistent reaction field method},\\
Y. Moreau, \textbf{P. F. Loos} and X. Assfeld*,\\
\textit{Theor. Chem. Acc.}, \textbf{2004}, \textit{112}, 228.
\end{etaremune}
\end{document}
Reference in New Issue View Git Blame Copy Permalink