| Year |
Citation |
Score |
| 2022 |
Sarkar R, Loos PF, Boggio-Pasqua M, Jacquemin D. Assessing the Performances of CASPT2 and NEVPT2 for Vertical Excitation Energies. Journal of Chemical Theory and Computation. PMID 35333060 DOI: 10.1021/acs.jctc.1c01197 |
0.317 |
|
| 2020 |
Brandenburg JG, Burke K, Fromager E, Gatti M, Giarrusso S, Gidopoulos NI, Gori-Giorgi P, Gowland D, Helgaker T, Hodgson MJP, Lacombe L, Levi G, Loos PF, Maitra NT, Maurina Morais E, et al. New approaches to study excited states in density functional theory: general discussion. Faraday Discussions. PMID 33245076 DOI: 10.1039/d0fd90026e |
0.326 |
|
| 2020 |
Fromager E, Gidopoulos N, Gori-Giorgi P, Helgaker T, Loos PF, Malcomson T, Pernal K, Savin A, Truhlar DG, Wibowo M, Yang W. Strong correlation in density functional theory: general discussion. Faraday Discussions. PMID 33241821 DOI: 10.1039/d0fd90025g |
0.311 |
|
| 2020 |
Loos PF, Blase X. Dynamical correction to the Bethe-Salpeter equation beyond the plasmon-pole approximation. The Journal of Chemical Physics. 153: 114120. PMID 32962392 DOI: 10.1063/5.0023168 |
0.346 |
|
| 2020 |
Marut C, Senjean B, Fromager E, Loos PF. Weight dependence of local exchange-correlation functionals in ensemble density-functional theory: double excitations in two-electron systems. Faraday Discussions. PMID 32910116 DOI: 10.1039/D0Fd00059K |
0.393 |
|
| 2020 |
Blase X, Duchemin I, Jacquemin D, Loos PF. The Bethe-Salpeter Equation Formalism: From Physics to Chemistry. The Journal of Physical Chemistry Letters. PMID 32787315 DOI: 10.1021/Acs.Jpclett.0C01875 |
0.382 |
|
| 2020 |
Loos PF, Fromager E. A weight-dependent local correlation density-functional approximation for ensembles. The Journal of Chemical Physics. 152: 214101. PMID 32505144 DOI: 10.1063/5.0007388 |
0.373 |
|
| 2020 |
Giner E, Scemama A, Loos PF, Toulouse J. A basis-set error correction based on density-functional theory for strongly correlated molecular systems. The Journal of Chemical Physics. 152: 174104. PMID 32384859 DOI: 10.1063/5.0002892 |
0.391 |
|
| 2020 |
Loos PF, Scemama A, Boggio-Pasqua M, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Exotic Molecules and Radicals. Journal of Chemical Theory and Computation. PMID 32379442 DOI: 10.1021/Acs.Jctc.0C00227 |
0.345 |
|
| 2020 |
Loos PF, Scemama A, Duchemin I, Jacquemin D, Blase X. Pros and Cons of the Bethe-Salpeter Formalism for Ground-State Energies. The Journal of Physical Chemistry Letters. 3536-3545. PMID 32298578 DOI: 10.1021/Acs.Jpclett.0C00460 |
0.355 |
|
| 2020 |
Loos PF, Scemama A, Jacquemin D. The Quest for Highly Accurate Excitation Energies: A Computational Perspective. The Journal of Physical Chemistry Letters. 2374-2383. PMID 32125872 DOI: 10.1021/Acs.Jpclett.0C00014 |
0.335 |
|
| 2020 |
Loos PF, Lipparini F, Boggio-Pasqua M, Scemama A, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Energies and Benchmarks for Medium Size Molecules. Journal of Chemical Theory and Computation. PMID 31986042 DOI: 10.1021/Acs.Jctc.9B01216 |
0.395 |
|
| 2020 |
Hollett JW, Loos PF. Capturing static and dynamic correlation with ΔNO-MP2 and ΔNO-CCSD. The Journal of Chemical Physics. 152: 014101. PMID 31914756 DOI: 10.1063/1.5140669 |
0.333 |
|
| 2020 |
Loos PF, Jacquemin D. Is ADC(3) as Accurate as CC3 for Valence and Rydberg Transition Energies? The Journal of Physical Chemistry Letters. 974-980. PMID 31913639 DOI: 10.1021/Acs.Jpclett.9B03652 |
0.317 |
|
| 2019 |
Loos PF, Pradines B, Scemama A, Giner E, Toulouse J. A Density-Based Basis-Set Incompleteness Correction for GW Methods. Journal of Chemical Theory and Computation. PMID 31891503 DOI: 10.1021/Acs.Jctc.9B01067 |
0.441 |
|
| 2019 |
Giner E, Scemama A, Toulouse J, Loos PF. Chemically accurate excitation energies with small basis sets. The Journal of Chemical Physics. 151: 144118. PMID 31615253 DOI: 10.1063/1.5122976 |
0.37 |
|
| 2019 |
Suellen C, Freitas RG, Loos PF, Jacquemin D. Cross-Comparisons between Experiment, TD-DFT, CC, and ADC for Transition Energies. Journal of Chemical Theory and Computation. PMID 31265781 DOI: 10.1021/Acs.Jctc.9B00446 |
0.381 |
|
| 2019 |
Loos PF, Pradines B, Scemama A, Toulouse J, Giner E. A Density-Based Basis-Set Correction for Wave Function Theory. The Journal of Physical Chemistry Letters. 2931-2937. PMID 31090432 DOI: 10.1021/Acs.Jpclett.9B01176 |
0.324 |
|
| 2019 |
Garniron Y, Applencourt T, Gasperich K, Benali A, Ferte A, Paquier J, Pradines B, Assaraf R, Reinhardt P, Toulouse J, Barbaresco P, Renon N, David G, Malrieu JP, Veril M, ... ... Loos PF, et al. Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of Chemical Theory and Computation. PMID 31082265 DOI: 10.1021/Acs.Jctc.9B00176 |
0.326 |
|
| 2019 |
Loos PF, Jacquemin D. Chemically Accurate 0-0 Energies with not-so-Accurate Excited State Geometries. Journal of Chemical Theory and Computation. PMID 30802404 DOI: 10.1021/Acs.Jctc.8B01103 |
0.357 |
|
| 2019 |
Burton HGA, Thom AJW, Loos PF. Complex adiabatic connection: A hidden non-Hermitian path from ground to excited states. The Journal of Chemical Physics. 150: 041103. PMID 30709258 DOI: 10.1063/1.5085121 |
0.364 |
|
| 2019 |
Loos PF, Boggio-Pasqua M, Scemama A, Caffarel M, Jacquemin D. Reference Energies for Double Excitations. Journal of Chemical Theory and Computation. PMID 30689951 DOI: 10.1021/Acs.Jctc.8B01205 |
0.362 |
|
| 2019 |
Escobar Azor M, Brooke L, Evangelisti S, Leininger T, Loos P, Suaud N, Berger A. A Wigner molecule at extremely low densities: a numerically exact study Scipost Physics Core. 1. DOI: 10.21468/Scipostphyscore.1.1.001 |
0.345 |
|
| 2019 |
Scemama A, Caffarel M, Benali A, Jacquemin D, Loos P. Influence of pseudopotentials on excitation energies from selected configuration interaction and diffusion Monte Carlo Results in Chemistry. 1: 100002. DOI: 10.1016/J.Rechem.2019.100002 |
0.442 |
|
| 2019 |
Loos P, Jacquemin D. Evaluating 0–0 Energies with Theoretical Tools: A Short Review Arxiv: Chemical Physics. 3: 684-696. DOI: 10.1002/Cptc.201900070 |
0.372 |
|
| 2018 |
Veril M, Romaniello P, Berger JA, Loos PF. Unphysical Discontinuities in GW Methods. Journal of Chemical Theory and Computation. PMID 30212627 DOI: 10.1021/Acs.Jctc.8B00745 |
0.335 |
|
| 2018 |
Loos PF, Galland N, Jacquemin D. Theoretical 0-0 Energies with Chemical Accuracy. The Journal of Physical Chemistry Letters. 4646-4651. PMID 30063359 DOI: 10.1021/Acs.Jpclett.8B02058 |
0.385 |
|
| 2018 |
Brooke L, Diaz-Marquez A, Evangelisti S, Leininger T, Loos PF, Suaud N, Berger JA. Distributed Gaussian orbitals for the description of electrons in an external potential. Journal of Molecular Modeling. 24: 216. PMID 30051296 DOI: 10.1007/S00894-018-3749-X |
0.416 |
|
| 2018 |
Scemama A, Benali A, Jacquemin D, Caffarel M, Loos PF. Excitation energies from diffusion Monte Carlo using selected configuration interaction nodes. The Journal of Chemical Physics. 149: 034108. PMID 30037241 DOI: 10.1063/1.5041327 |
0.377 |
|
| 2018 |
Loos PF, Scemama A, Blondel A, Garniron Y, Caffarel M, Jacquemin D. A Mountaineering Strategy to Excited States: Highly-Accurate Reference Energies and Benchmarks. Journal of Chemical Theory and Computation. PMID 29966098 DOI: 10.1021/Acs.Jctc.8B00406 |
0.374 |
|
| 2018 |
Loos PF, Romaniello P, Berger JA. Green functions and self-consistency: insights from the spherium model. Journal of Chemical Theory and Computation. PMID 29746773 DOI: 10.1021/Acs.Jctc.8B00260 |
0.381 |
|
| 2018 |
Scemama A, Garniron Y, Caffarel M, Loos PF. Deterministic construction of nodal surfaces within quantum Monte Carlo: the case of FeS. Journal of Chemical Theory and Computation. PMID 29376369 DOI: 10.1021/Acs.Jctc.7B01250 |
0.366 |
|
| 2017 |
Garniron Y, Scemama A, Loos PF, Caffarel M. Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory. The Journal of Chemical Physics. 147: 034101. PMID 28734281 DOI: 10.1063/1.4992127 |
0.304 |
|
| 2017 |
Barca GMJ, Loos PF. Three- and four-electron integrals involving Gaussian geminals: Fundamental integrals, upper bounds, and recurrence relations. The Journal of Chemical Physics. 147: 024103. PMID 28711054 DOI: 10.1063/1.4991733 |
0.357 |
|
| 2017 |
Loos PF, Rivail JL, Assfeld X. Iterative stochastic subspace self-consistent field method. Journal of Molecular Modeling. 23: 173. PMID 28466425 DOI: 10.1007/S00894-017-3347-3 |
0.561 |
|
| 2017 |
Loos PF. Exchange functionals based on finite uniform electron gases. The Journal of Chemical Physics. 146: 114108. PMID 28330368 DOI: 10.1063/1.4978409 |
0.376 |
|
| 2017 |
Rogers FJ, Loos PF. Excited-state Wigner crystals. The Journal of Chemical Physics. 146: 044114. PMID 28147519 DOI: 10.1063/1.4974839 |
0.406 |
|
| 2017 |
Ball CJ, Loos PF, Gill PM. Molecular electronic structure in one-dimensional Coulomb systems. Physical Chemistry Chemical Physics : Pccp. PMID 28106179 DOI: 10.1039/C6Cp06801D |
0.344 |
|
| 2016 |
Barca GM, Loos PF, Gill PM. Many-electron integrals over gaussian basis functions. I. Recurrence relations for three-electron integrals. Journal of Chemical Theory and Computation. PMID 26981747 DOI: 10.1021/Acs.Jctc.6B00130 |
0.412 |
|
| 2016 |
Tognetti V, Loos PF. Natural occupation numbers in two-electron quantum rings. The Journal of Chemical Physics. 144: 054108. PMID 26851909 DOI: 10.1063/1.4940919 |
0.435 |
|
| 2015 |
Loos PF, Bloomfield NJ, Gill PM. Communication: Three-electron coalescence points in two and three dimensions. The Journal of Chemical Physics. 143: 181101. PMID 26567635 DOI: 10.1063/1.4935374 |
0.395 |
|
| 2015 |
Agboola D, Knol AL, Gill PM, Loos PF. Uniform electron gases. III. Low-density gases on three-dimensional spheres. The Journal of Chemical Physics. 143: 084114. PMID 26328825 DOI: 10.1063/1.4929353 |
0.406 |
|
| 2015 |
Loos PF, Ball CJ, Gill PM. Chemistry in one dimension. Physical Chemistry Chemical Physics : Pccp. 17: 3196-206. PMID 25518906 DOI: 10.1039/C4Cp03571B |
0.403 |
|
| 2014 |
Gill PM, Loos PF, Agboola D. Basis functions for electronic structure calculations on spheres. The Journal of Chemical Physics. 141: 244102. PMID 25554128 DOI: 10.1063/1.4903984 |
0.42 |
|
| 2014 |
Loos PF, Ball CJ, Gill PM. Uniform electron gases. II. The generalized local density approximation in one dimension. The Journal of Chemical Physics. 140: 18A524. PMID 24832332 DOI: 10.1063/1.4867910 |
0.44 |
|
| 2014 |
Loos P. Generalized local-density approximation and one-dimensional finite uniform electron gases Physical Review A. 89: 52523. DOI: 10.1103/Physreva.89.052523 |
0.426 |
|
| 2014 |
Loos PF, Gill PMW. Exact wave functions for concentric two-electron systems Physics Letters, Section a: General, Atomic and Solid State Physics. 378: 329-333. DOI: 10.1016/J.Physleta.2013.11.045 |
0.34 |
|
| 2013 |
Loos PF, Gill PM. Uniform electron gases. I. Electrons on a ring. The Journal of Chemical Physics. 138: 164124. PMID 23635128 DOI: 10.1063/1.4802589 |
0.31 |
|
| 2013 |
Loos PF. High-density correlation energy expansion of the one-dimensional uniform electron gas. The Journal of Chemical Physics. 138: 064108. PMID 23425462 DOI: 10.1063/1.4790613 |
0.389 |
|
| 2012 |
Loos PF, Gill PM. Exact wave functions of two-electron quantum rings. Physical Review Letters. 108: 083002. PMID 22463526 DOI: 10.1103/Physrevlett.108.083002 |
0.394 |
|
| 2012 |
Loos PF, Gill PMW. Harmonically trapped jellium Molecular Physics. 110: 2337-2342. DOI: 10.1080/00268976.2012.679634 |
0.344 |
|
| 2012 |
Loos PF, Gill PMW. Leading-order behavior of the correlation energy in the uniform electron gas International Journal of Quantum Chemistry. 112: 1712-1716. DOI: 10.1002/Qua.23155 |
0.371 |
|
| 2011 |
Loos PF, Gill PMW. Correlation energy of the spin-polarized uniform electron gas at high density Physical Review B - Condensed Matter and Materials Physics. 84. DOI: 10.1103/Physrevb.84.033103 |
0.33 |
|
| 2011 |
Loos PF, Gill PMW. Exact energy of the spin-polarized two-dimensional electron gas at high density Physical Review B - Condensed Matter and Materials Physics. 83. DOI: 10.1103/Physrevb.83.233102 |
0.34 |
|
| 2011 |
Zhao Y, Loos PF, Gill PMW. Correlation energy of anisotropic quantum dots Physical Review a - Atomic, Molecular, and Optical Physics. 84. DOI: 10.1103/Physreva.84.032513 |
0.332 |
|
| 2011 |
Gill PMW, Loos P. Uniform electron gases Theoretical Chemistry Accounts. 131. DOI: 10.1007/S00214-011-1069-7 |
0.401 |
|
| 2010 |
Loos PF, Gill PM. Invariance of the correlation energy at high density and large dimension in two-electron systems. Physical Review Letters. 105: 113001. PMID 20867567 DOI: 10.1103/Physrevlett.105.113001 |
0.376 |
|
| 2010 |
Loos PF, Gill PM. Correlation energy of two electrons in a ball. The Journal of Chemical Physics. 132: 234111. PMID 20572693 DOI: 10.1063/1.3455706 |
0.372 |
|
| 2010 |
Ambrosek D, Loos PF, Assfeld X, Daniel C. A theoretical study of Ru(II) polypyridyl DNA intercalators structure and electronic absorption spectroscopy of [Ru(phen)2(dppz)]2+ and [Ru(tap)2(dppz)]2+ complexes intercalated in guanine-cytosine base pairs. Journal of Inorganic Biochemistry. 104: 893-901. PMID 20554006 DOI: 10.1016/J.Jinorgbio.2010.04.002 |
0.58 |
|
| 2010 |
Loos PF, Gill PMW. Ground state of two electrons on concentric spheres Physical Review a - Atomic, Molecular, and Optical Physics. 81. DOI: 10.1103/Physreva.81.052510 |
0.437 |
|
| 2010 |
Loos P. Hooke's law correlation in two-electron systems Physical Review A. 81: 32510. DOI: 10.1103/Physreva.81.032510 |
0.413 |
|
| 2010 |
Loos PF, Gill PMW. Excited states of spherium Molecular Physics. 108: 2527-2532. DOI: 10.1080/00268976.2010.508472 |
0.326 |
|
| 2010 |
Loos PF, Gill PMW. A tale of two electrons: Correlation at high density Chemical Physics Letters. 500: 1-8. DOI: 10.1016/J.Cplett.2010.09.019 |
0.42 |
|
| 2010 |
Dumont E, Loos PF, Laurent AD, Assfeld X. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds International Journal of Quantum Chemistry. 110: 513-523. DOI: 10.1002/Qua.22072 |
0.744 |
|
| 2009 |
Dumont É, Laurent AD, Loos PF, Assfeld X. Analyzing the Selectivity and Successiveness of a Two-Electron Capture on a Multiply Disulfide-Linked Protein. Journal of Chemical Theory and Computation. 5: 1700-8. PMID 26609860 DOI: 10.1021/Ct900093H |
0.724 |
|
| 2009 |
Loos PF, Gill PM. Correlation energy of two electrons in the high-density limit. The Journal of Chemical Physics. 131: 241101. PMID 20059043 DOI: 10.1063/1.3275519 |
0.336 |
|
| 2009 |
Loos PF, Gill PM. Two electrons on a hypersphere: a quasiexactly solvable model. Physical Review Letters. 103: 123008. PMID 19792435 DOI: 10.1103/Physrevlett.103.123008 |
0.376 |
|
| 2009 |
Loos PF, Gill PMW. Ground state of two electrons on a sphere Physical Review a - Atomic, Molecular, and Optical Physics. 79. DOI: 10.1103/Physreva.79.062517 |
0.379 |
|
| 2009 |
Dumont E, Laurent AD, Loos PF, Assfeld X. Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein Journal of Chemical Theory and Computation. 5: 1700-1708. DOI: 10.1021/ct900093h |
0.69 |
|
| 2009 |
Loos PF, Dumont E, Laurent AD, Assfeld X. Important effects of neighbouring nucleotides on electron induced DNA single-strand breaks Chemical Physics Letters. 475: 120-123. DOI: 10.1016/J.Cplett.2009.05.041 |
0.708 |
|
| 2008 |
Dumont E, Loos PF, Laurent AD, Assfeld X. Huge Disulfide-Linkage'S Electron Capture Variation Induced by α-Helix Orientation. Journal of Chemical Theory and Computation. 4: 1171-3. PMID 26631693 DOI: 10.1021/Ct800161M |
0.727 |
|
| 2008 |
Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical Investigation of the Geometries and UV-vis Spectra of Poly(l-glutamic acid) Featuring a Photochromic Azobenzene Side Chain. Journal of Chemical Theory and Computation. 4: 637-45. PMID 26620938 DOI: 10.1021/Ct700188W |
0.719 |
|
| 2008 |
Dumont E, Loos PF, Assfeld X. Factors governing electron capture by small disulfide loops in two-cysteine peptides. The Journal of Physical Chemistry. B. 112: 13661-9. PMID 18837539 DOI: 10.1021/Jp806465E |
0.629 |
|
| 2008 |
Dumont E, Loos PF, Laurent AD, Assfeld X. Huge disulfide-linkage'S electron capture variation induced by α-helix orientation Journal of Chemical Theory and Computation. 4: 1171-1173. DOI: 10.1021/ct800161m |
0.684 |
|
| 2008 |
Loos PF, Preat J, Laurent AD, Michaux C, Jacquemin D, Perpète EA, Assfeld X. Theoretical investigation of the geometries and UV-vis spectra of poly(L-glutamic acid) featuring a photochromic azobenzene side chain Journal of Chemical Theory and Computation. 4: 637-645. DOI: 10.1021/ct700188w |
0.652 |
|
| 2008 |
Dumont E, Loos PF, Assfeld X. Effect of ring strain on disulfide electron attachment Chemical Physics Letters. 458: 276-280. DOI: 10.1016/J.Cplett.2008.05.010 |
0.63 |
|
| 2007 |
Loos PF, Assfeld X. Self-Consistent Strictly Localized Orbitals. Journal of Chemical Theory and Computation. 3: 1047-53. PMID 26627423 DOI: 10.1021/Ct6003214 |
0.634 |
|
| 2007 |
Loos P, Fornili A, Sironi M, Assfeld X. Removing the extra frontier parameters in QM/MM methods: a tentative with the Local Self-Consistent Field method Computing Letters. 3: 473-486. DOI: 10.1163/157404007782913309 |
0.62 |
|
| 2007 |
Loos PF, Assfeld X. On the frontier bond location in the QM/MM description of peptides and proteins Aip Conference Proceedings. 963: 308-315. DOI: 10.1063/1.2827014 |
0.508 |
|
| 2007 |
Loos PF, Assfeld X. Self-consistent strictly localized orbitals Journal of Chemical Theory and Computation. 3: 1047-1053. DOI: 10.1021/ct6003214 |
0.516 |
|
| 2007 |
Preat J, Loos PF, Assfeld X, Jacquemin D, Perpète EA. A TD-DFT investigation of UV spectra of pyranoïdic dyes: A NCM vs PCM comparison Journal of Molecular Structure: Theochem. 808: 85-91. DOI: 10.1016/J.Theochem.2006.12.047 |
0.584 |
|
| 2007 |
Loos PF, Assfeld X, Rivail JL. Intramolecular interactions and cis peptidic bonds Theoretical Chemistry Accounts. 118: 165-171. DOI: 10.1007/S00214-007-0258-X |
0.581 |
|
| 2007 |
Loos PF, Assfeld X. Core-ionized and core-excited states of macromolecules International Journal of Quantum Chemistry. 107: 2243-2252. DOI: 10.1002/Qua.21410 |
0.613 |
|
| 2007 |
Preat J, Loos PF, Assfeld X, Jacquemin D, Perpète EA. DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: Comparison of two SCRF continuum models International Journal of Quantum Chemistry. 107: 574-585. DOI: 10.1002/Qua.21182 |
0.57 |
|
| 2006 |
Fornili A, Loos PF, Sironi M, Assfeld X. Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods Chemical Physics Letters. 427: 236-240. DOI: 10.1016/J.Cplett.2006.06.095 |
0.615 |
|
| 2004 |
Moreau Y, Loos PF, Assfeld X. 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 Theoretical Chemistry Accounts. 112: 228-239. DOI: 10.1007/S00214-004-0581-4 |
0.742 |
|
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