2021-12-08 14:30:12 +01:00
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\title { Publications}
\author { Pierre-Fran\c { c} ois Loos}
\date { }
\begin { document}
\maketitle
\begin { etaremune}
2023-11-01 07:31:13 +01:00
\item
2024-09-04 23:09:48 +02:00
\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*,\\
\textit { J. Chem. Theory Comput.} , (in press).
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/146.pdf} { Selected configuration interaction for resonances} ,\\
Y. Damour, A. Scemama, F. Kossoski, and \textbf { P. F. Loos*} ,\\
\textit { J. Phys. Chem. Lett.} , \textbf { 2024} , \textit { 15} , 8296.
\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} ,\\
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).
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/144.pdf} { Anomalous propagators and the particle-particle channel: Hedin’ s equations} ,\\
A. Marie*, P. Romaniello, and \textbf { P. F. Loos*} ,\\
\textit { Phys. Rev. B} , \textbf { 2024} , (submitted).
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/143.pdf} { Compactification of determinant expansions via transcorrelation} ,\\
A. Ammar*, A. Scemama, \textbf { P. F. Loos*} , and E. Giner*,\\
\textit { J. Chem. Phys.} , \textbf { 2024} , \textit { 161} , 084104.
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/142.pdf} { Reference energies for double excitations: improvement \& extension} ,\\
2024-04-03 11:36:01 +02:00
F. Kossoski*, M. Boggio-Pasqua*, \textbf { P. F. Loos*} , and D. Jacquemin*,\\
2024-09-04 23:09:48 +02:00
\textit { J. Chem. Theory Comput.} , \textbf { 2024} , \textit { 20} , 5655.
2024-04-03 11:36:01 +02:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/141.pdf} { Cumulant Green's function methods for molecules} ,\\
2024-04-03 11:36:01 +02:00
\textbf { P. F. Loos*} , A. Marie, and A. Ammar,\\
2024-09-04 23:09:48 +02:00
\textit { Faraday Discuss.} , (in press).
2024-04-03 11:36:01 +02:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/140.pdf} { Reference energies for valence ionizations and satellite transitions} ,\\
2024-04-03 11:36:01 +02:00
A. Marie* and \textbf { P. F. Loos*} ,\\
2024-09-04 23:09:48 +02:00
\textit { J. Chem. Theory Comput.} , \textbf { 2024} , \textit { 20} , 4751.
2023-11-01 07:31:13 +01:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/139.pdf} { Go green: selected configuration interaction as a more sustainable alternative for high accuracy} ,\\
2024-04-03 11:36:01 +02:00
\textbf { P. F. Loos*} , Y. Damour, A. Ammar, M. Caffarel, F. Kossoski, and A. Scemama,\\
2024-09-04 23:09:48 +02:00
\textit { arXiv} , \textbf { 2024} , 2402.13111 [physics.chem-p].
2024-04-03 11:36:01 +02:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/138.pdf} { A mountaineering strategy to excited states: accurate vertical transition energies and benchmarks for substituted benzenes} ,\\
2024-04-03 11:36:01 +02:00
\textbf { P. F. Loos} and D. Jacquemin*,\\
2024-09-04 23:09:48 +02:00
\textit { J. Comput. Chem.} , \textbf { 2024} , \textit { 45} , 1791.
2024-04-03 11:36:01 +02:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/137.pdf} { State-specific coupled-cluster methods for excited states} ,\\
2024-04-03 11:36:01 +02:00
Y. Damour*, A. Scemama, D. Jacquemin, F. Kossoski*, and \textbf { P. F. Loos*} ,\\
2024-09-04 23:09:48 +02:00
\textit { J. Chem. Theory Comput.} , \textbf { 2024} , \textit { 20} , 4129.
2023-11-01 07:31:13 +01:00
2024-04-03 11:36:01 +02:00
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/136.pdf} { Neutral electronic excitations and derivative discontinuities: An extended N-centered ensemble density functional theory perspective} ,\\
2024-04-03 11:36:01 +02:00
F. Cernatic, \textbf { P. F. Loos} , B. Senjean, and E. Fromager*,\\
2024-09-04 23:09:48 +02:00
\textit { Phys. Rev. B} , \textbf { 2024} , \textit { 109} , 235113.
2024-04-03 11:36:01 +02:00
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/135.pdf} { Can $ GW $ handle multireference systems?} ,\\
A. Ammar, A. Marie, M. Rodríguez-Mayorga, H. G. A. Burton, and \textbf { P. F. Loos*} ,\\
2024-09-04 23:09:48 +02:00
\textit { J. Chem. Phys.} , \textbf { 2024} , \textit { 160} , 114101.
2023-11-01 07:31:13 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/134.pdf} { Rationale for the extrapolation procedure in selected configuration interaction} ,\\
H. G. A. Burton* and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Phys.} , \textbf { 2024} , \textit { 160} , 104102.
\item
2024-09-04 23:09:48 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/133.pdf} { The $ GW $ approximation: a quantum chemistry perspective} ,\\
2024-04-03 11:36:01 +02:00
A. Marie, A. Ammar, and \textbf { P. F. Loos*} ,\\
2024-09-04 23:09:48 +02:00
\textit { Adv. Quantum Chem.} , \textbf { 2024} , \textit { 90} , 157.
2024-04-03 11:36:01 +02:00
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/132.pdf} { Heptazine, cyclazine, and related compounds: chemically-accurate estimates of the inverted singlet-triplet gap} ,\\
\textbf { P. F. Loos} , F. Lipparini, and D. Jacquemin*,\\
\textit { J. Phys. Chem. Lett.} , \textbf { 2023} , \textit { 14} , 11069.
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/131.pdf} { Reference vertical excitation energies for transition metal compounds} ,\\
D. Jacquemin*, F. Kossoski, F. Gam, M. Boggio-Pasqua*, and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2023} , \textit { 19} , 8782.
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/130.pdf} { The three channels of many-body perturbation theory: GW, particle-particle, and electron-hole T-matrix self-energies} ,\\
2023-11-01 07:31:13 +01:00
R. Orlando, P. Romaniello*, and \textbf { P. F. Loos*} ,\\
2024-04-03 11:36:01 +02:00
\textit { J. Chem. Phys.} , \textbf { 2023} , \textit { 159} , 184113.
2023-11-01 07:31:13 +01:00
\item
\href { https://arxiv.org/pdf/2308.14890.pdf} { QCMATH: Mathematica modules for electronic structure calculations} ,\\
E. Monino, A. Marie, and \textbf { P. F. Loos*} ,\\
\textit { arXiv} , 2308.14890 [physics.chem-p] (2023).
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/129.pdf} { Seniority and hierarchy configuration interaction for radicals and excited states} ,\\
2023-11-01 07:31:13 +01:00
F. Kossoski* and \textbf { P. F. Loos*} ,\\
2024-04-03 11:36:01 +02:00
\textit { J. Chem. Theory Comput.} , \textbf { 2023} , \textit { 19} , 8654.
2023-11-01 07:31:13 +01:00
2023-07-17 13:08:10 +02:00
\item
\href { https://pfloos.github.io/WEB_ LOOS/pub/128.pdf} { Introduction to the Peter M. W. Gill special issue} ,\\
2023-11-01 07:31:13 +01:00
M. Head-Gordon, A. T. B. Gilbert, \textbf { P. F. Loos} , and Leo Radom,\\
2023-07-17 13:08:10 +02:00
\textit { Mol. Phys.} , \textbf { 2023} , \textit { 121} , e2219934.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/127.pdf} { Equation generator for equation-of-motion coupled cluster assisted by computer algebra system} ,\\
2023-07-17 13:08:10 +02:00
R. Quintero-Monsebaiz and \textbf { P. F. Loos*} ,\\
2023-11-01 07:31:13 +01:00
\textit { AIP Adv.} , \textbf { 2023} , \textit { 13} , 085035.
2023-07-17 13:08:10 +02:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/126.pdf} { Connections and performances of Green’ s function methods for charged and neutral excitations} ,\\
2023-07-17 13:08:10 +02:00
E. Monino and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Phys.} , \textbf { 2023} , \textit { 159} , 034105.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/125.pdf} { Exact excited-state functionals of the asymmetric Hubbard dimer} ,\\
S. Giarrusso* and \textbf { P. F. Loos*} ,\\
2023-11-01 07:31:13 +01:00
\textit { J. Phys. Chem. Lett.} , \textbf { 2023} , \textit { 14} , 8780.
2023-07-17 13:08:10 +02:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/124.pdf} { A similarity renormalization group approach to Green’ s function methods} ,\\
2023-07-17 13:08:10 +02:00
A. Marie* and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2023} , \textit { 19} , 3943.
2023-02-23 23:13:31 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/123.pdf} { Exploring new exchange-correlation kernels in the Bethe-Salpeter equation: a study of the asymmetric Hubbard dimer} ,\\
2023-02-23 23:13:31 +01:00
R. Orlando, P. Romaniello, and \textbf { P. F. Loos*} ,\\
2023-11-01 07:31:13 +01:00
\textit { Adv. Quantum Chem.} , \textbf { 2023} , \textit { 88} , 183.
2023-02-23 23:13:31 +01:00
2022-12-10 19:50:40 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/122.pdf} { Ground- and excited-state dipole moments and oscillator strengths of full configuration interaction quality} ,\\
2022-12-10 19:50:40 +01:00
Y. Damour*, R. Quintero-Monsebaiz, M. Caffarel, D. Jacquemin, F. Kossoski, A. Scemama, and \textbf { P. F. Loos*} ,\\
2023-02-23 23:13:31 +01:00
\textit { J. Chem. Theory Comput.} , \textbf { 2023} , \textit { 19} , 221.
2022-12-10 19:50:40 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/121.pdf} { State-specific configuration interaction for excited states} ,\\
2022-12-10 19:50:40 +01:00
F. Kossoski* and \textbf { P. F. Loos*} ,\\
2023-11-01 07:31:13 +01:00
\textit { J. Chem. Theory Comput.} , \textbf { 2022} , \textit { 19} 2258.
2022-12-10 19:50:40 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/120.pdf} { Diffusion Monte Carlo using domains in configuration space} ,\\
2022-12-10 19:50:40 +01:00
R. Assaraf, E. Giner, V. G. Chilkuri, \textbf { P. F. Loos} , A. Scemama, and M. Caffarel*,\\
2023-02-23 23:13:31 +01:00
\textit { Phys. Rev. B} , \textbf { 2023} , \textit { 107} , 035130.
2022-12-10 19:50:40 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/119.pdf} { Connections between many-body perturbation and coupled-cluster theories} ,\\
2022-12-10 19:50:40 +01:00
R. Quintero-Monsebaiz, E. Monino, A. Marie, and \textbf { P. F. Loos*} ,\\
2023-02-23 23:13:31 +01:00
\textit { J. Chem. Phys.} , \textbf { 2022} , \textit { 157} , 231102.
2022-12-10 19:50:40 +01:00
2024-04-03 11:36:01 +02:00
\item \href { https://pfloos.github.io/WEB_ LOOS/pub/118.pdf} { DFT exchange: sharing perspectives on the workhorse of quantum chemistry and materials science} ,\\
2022-06-19 21:35:03 +02:00
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.\\
2022-12-10 19:50:40 +01:00
\textit { Phys. Chem. Chem. Phys.} , \textbf { 2022} , \textit { 24} , 28700.
2022-06-19 21:35:03 +02:00
2022-04-24 22:28:30 +02:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/117.pdf} { A mountaineering strategy to excited states: revising reference values with EOM-CC4} ,\\
2022-04-24 22:28:30 +02:00
\textbf { P. F. Loos*} , F. Lipparini, D. A. Matthews, A. Blondel, and D. Jacquemin*,\\
2022-12-10 19:50:40 +01:00
\textit { J. Chem. Theory Comput.} , \textbf { 2022} , \textit { 18} , 4418.
2022-04-24 22:28:30 +02:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/116.pdf} { Benchmarking CASPT3 vertical excitation energies} ,\\
2022-04-24 22:28:30 +02:00
M. Boggio-Pasqua*, D. Jacquemin*, and \textbf { P. F. Loos*} ,\\
2022-12-10 19:50:40 +01:00
\textit { J. Chem. Phys.} , \textbf { 2022} , \textit { 157} , 014103.
2022-04-24 22:28:30 +02:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/115.pdf} { Reference energies for cyclobutadiene: automerization and excited states} ,\\
2022-04-24 22:28:30 +02:00
E. Monino*, M. Boggio-Pasqua, A. Scemama, D. Jacquemin, and \textbf { P. F. Loos*} ,\\
2022-12-10 19:50:40 +01:00
\textit { J. Phys. Chem. A} , \textbf { 2022} , \textit { 126} , 4664.
2022-04-24 22:28:30 +02:00
2022-03-15 09:25:50 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/114.pdf} { Hierarchy configuration interaction: combining seniority number and excitation degree} ,\\
2022-03-15 09:25:50 +01:00
F. Kossoski*, Y. Damour, and \textbf { P. F. Loos*} ,\\
2022-06-19 21:35:03 +02:00
\textit { J. Phys. Chem. Lett.} , \textbf { 2022} , \textit { 13} , 4342.
2022-03-15 09:25:50 +01:00
\item
\href { https://arxiv.org/pdf/2203.05246.pdf} { Transient uniform electron gases} ,\\
\textbf { P. F. Loos*} and M. Seidl,\\
2022-04-24 22:28:30 +02:00
\textit { Mol. Phys.} , \textbf { 2022} , \textit { } (in press).
2022-03-15 09:25:50 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/112.pdf} { Unphysical discontinuities, intruder states and regularization in $ GW $ methods} ,\\
2022-03-15 09:25:50 +01:00
E. Monino and \textbf { P. F. Loos*} ,\\
2022-06-19 21:35:03 +02:00
\textit { J. Chem. Phys.} , \textbf { 2022} , \textit { 156} , 231101.
2022-03-15 09:25:50 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/111.pdf} { Static and dynamic Bethe-Salpeter equations in the $ T $ -matrix approximation} ,\\
2022-03-15 09:25:50 +01:00
\textbf { P. F. Loos*} and P. Romaniello*,\\
2022-06-19 21:35:03 +02:00
\textit { J. Chem. Phys.} , \textbf { 2022} , \textit { 156} , 164101.
2022-03-15 09:25:50 +01:00
2021-12-08 14:30:12 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/110.pdf} { Assessing the performances of CASPT2 and NEVPT2 for vertical excitation energies} ,\\
2021-12-08 19:30:53 +01:00
R. Sarka, \textbf { P. F. Loos} , M. Boggio-Pasqua*, and D. Jacquemin*,\\
2022-04-24 22:28:30 +02:00
\textit { J. Chem. Theory Comput.} , \textbf { 2022} , \textit { 18} , 2418.
2021-12-08 19:30:53 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/109.pdf} { A mountaineering strategy to excited states: highly-accurate energies and benchmarks for bicyclic systems} ,\\
2021-12-08 14:30:12 +01:00
\textbf { P. F. Loos*} and D. Jacquemin*,\\
2021-12-08 19:30:53 +01:00
\textit { J. Phys. Chem. A} , \textbf { 2021} , \textit { 125} , 10174.
2021-12-08 14:30:12 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/108.pdf} { Accurate full configuration interaction correlation energy estimates for five- and six-membered rings} ,\\
2021-12-08 14:30:12 +01:00
Y. Damour, M. V\' eril, F. Kossoski, M. Caffarel, D. Jacquemin*, A. Scemama*, and \textbf { P. F. Loos*} ,\\
2021-12-08 19:30:53 +01:00
\textit { J. Chem. Phys.} , \textbf { 2021} , \textit { 155} , 134104.
2021-12-08 14:30:12 +01:00
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/107.pdf} { Scrutinizing GW-based methods using the Hubbard dimer} ,\\
2021-12-08 14:30:12 +01:00
S. Di Sabatino*, \textbf { P. F. Loos} , and P. Romaniello,\\
\textit { Front. Chem.} , \textbf { 2021} , \textit { 9} , 751054.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/106.pdf} { Variational coupled cluster for ground and excited states} ,\\
2021-12-08 14:30:12 +01:00
A. Marie, F. Kossoski, and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Phys.} , \textbf { 2021} , \textit { 155} , 104105.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/105.pdf} { Variations of the Hartree-Fock fractional-spin error for one electron} ,\\
2021-12-08 14:30:12 +01:00
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
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/104.pdf} { How accurate are EOM-CC4 vertical excitation energies?} ,\\
2021-12-08 14:30:12 +01:00
\textbf { P. F. Loos*} , D. A. Matthews, F. Lipparini, and D. Jacquemin*,\\
\textit { J. Chem. Phys.} , \textbf { 2021} , \textit { 154} , 221103.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/103.pdf} { Excited states from state-specific orbital-optimized pair coupled-cluster} ,\\
2021-12-08 14:30:12 +01:00
F. Kossoski*, A. Marie, A. Scemama, M. Caffarel, and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2021} , \textit { 17} , 4756.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/102.pdf} { Reference energies for intramolecular charge-transfer excitations} ,\\
2021-12-08 14:30:12 +01:00
\textbf { P. F. Loos*} , M. Comin, X. Blase*, and D. Jacquemin*,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2021} , \textit { 17} , 3666.
\item
2024-04-03 11:36:01 +02:00
(Book chapter) \href { https://pfloos.github.io/WEB_ LOOS/pub/101.pdf} { Spin-adapted selected configuration interaction in a determinant basis} ,\\
2021-12-08 14:30:12 +01:00
V. G. Chilkuri, T. Applencourt, K. Gasperich, \textbf { P. F. Loos} , and A. Scemama*,\\
\textit { Adv. Quantum Chem.} , \textbf { 2021} , \textit { 83} , 65.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/100.pdf} { Spin-conserved and spin-flip optical excitations from the Bethe-Salpeter equation formalism} ,\\
2021-12-08 14:30:12 +01:00
E. Monino and \textbf { P. F. Loos*} ,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2021} , \textit { 17} , 2852.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/99.pdf} { Perturbation theory in the complex plane: exceptional points and where to find them} ,\\
2021-12-08 14:30:12 +01:00
A. Marie, H. G. A. Burton*, and \textbf { P. F. Loos*} ,\\
\textit { J. Phys. Cond. Mat.} , \textbf { 2021} , \textit { 33} , 283001.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/98.pdf} { QUESTDB: a database of highly-accurate excitation energies for the electronic structure community} ,\\
2021-12-08 14:30:12 +01:00
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
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/97.pdf} { Benchmarking TD-DFT and wave function methods for oscillator strengths and excited-state dipole moments} ,\\
2021-12-08 14:30:12 +01:00
R. Sarkar, M. Boggio-Pasqua, \textbf { P. F. Loos*} , and D. Jacquemin*,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2021} , \textit { 17} , 1106.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/96.pdf} { Potential energy surfaces without unphysical discontinuities: the Coulomb-hole plus screened exchange approach} ,\\
2021-12-08 14:30:12 +01:00
J. A. Berger*, \textbf { P. F. Loos} , and P. Romaniello,\\
\textit { J. Chem. Theory Comput.} , \textbf { 2021} , \textit { 17} , 191.
\item
2024-04-03 11:36:01 +02:00
\href { https://pfloos.github.io/WEB_ LOOS/pub/95.pdf} { A mountaineering strategy to excited states: highly-accurate oscillator strengths and dipole moments of small molecules} ,\\
2021-12-08 14:30:12 +01:00
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*,\\
2022-12-10 19:50:40 +01:00
\textit { J. Chem. Theory Comput.} , \textbf { 2020} , \textit { 16} , 1018.
2021-12-08 14:30:12 +01:00
\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*,\\
2022-12-10 19:50:40 +01:00
\textit { J. Mod. Mol.} , \textbf { 2018} , \textit { 24} , 216.
2021-12-08 14:30:12 +01:00
\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}