121 lines
11 KiB
TeX
121 lines
11 KiB
TeX
\section*{Publications}
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\begin{enumerate}
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\item Garniron, Y.; Scemama, A.; \underline{Loos, P. F.}; Caffarel, M. Hybrid stochastic-deterministic calculation of the second-order perturbative contribution of multireference perturbation theory, \textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 034101.
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\item Barca, G. M. J.; \underline{Loos, P. F.} Three-electron and four-electron integrals involving Gaussian geminals: fundamental integrals, upper bounds and recurrence relations, \textit{J. Chem. Phys.}, \textbf{2017}, \textit{147}, 024103.
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\item Barca, G. M. J.; \underline{Loos, P. F.} Recurrence relations for four-electron integrals over Gaussian basis functions, \textit{Adv. Quantum Chem.}, \textbf{2017}, (in press).
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\item \underline{Loos, P. F.}; Rivail, J.-L.; Assfeld, X. Iterative stochastic subspace self-consistent field method, \textit{J. Mod. Mol.}, \textbf{2017}, \textit{23}, 173.
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\item \underline{Loos, P. F.} Exchange functionals based on finite uniform electron gases, \textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 114108.
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\item Rogers, F. J. M.; \underline{Loos, P. F.} Excited-state Wigner crystals, \textit{J. Chem. Phys.}, \textbf{2017}, \textit{146}, 044114.
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\item Ball, C. J.; \underline{Loos, P. F.}; Gill, P. M. W. Electronic structure calculations in one dimension, \textit{Phys. Chem. Chem. Phys.}, \textbf{2017}, \textit{19}, 3987.
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\item Rogers, F. J. M.; Ball, C. J.; \underline{Loos, P. F.} Symmetry-broken local-density approximation for one-dimensional systems, \textit{Phys. Rev. B}, \textbf{2016}, \textit{93}, 235114.
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\item \underline{Loos, P. F.}; Gill, P. M. W. The uniform electron gas, \textit{WIREs Comput. Mol. Sci.}, \textbf{2016}, \textit{6}, 410.
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\item Barca, G. M. J.; \underline{Loos, P. F.}; Gill, P. M. W. Many-electron integrals over Gaussian basis functions. I. Recurrence relations for three-electron integrals, \textit{J. Chem. Theory Comput.}, \textbf{2016}, \textit{12}, 1735.
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\item Tognetti, V; \underline{Loos, P. F.} Natural occupation numbers in two-electron quantum rings, \textit{J. Chem. Phys.}, \textbf{2016}, \textit{144}, 054108.
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\item \underline{Loos, P. F.}; Bloomfield. N. J.; Gill, P. M. W. Three-electron coalescence points in two and three dimensions, \textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 181101.
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\item Agboola, D.; Knol. A. L.; Gill, P. M. W.; \underline{Loos, P. F.} Uniform electron gases: III. Low-density gases on three-dimensional spheres, \textit{J. Chem. Phys.}, \textbf{2015}, \textit{143}, 084114.
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\item \underline{Loos, P. F.}; Bressanini, D. Nodal surfaces and interdimensional degeneracies, \textit{J. Chem. Phys.}, \textbf{2015}, \textit{142}, 214112.
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\item \underline{Loos, P. F.}; Ball, C. J.; Gill, P. M. W. Chemistry in one dimension, \textit{Phys. Chem. Chem. Phys.}, \textbf{2015}, \textit{17}, 3196.
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\item Gill, P. M. W.; \underline{Loos, P. F.}; Agboola, D. Basis functions for electronic structure calculations on spheres, \textit{J. Chem. Phys.}, \textbf{2014}, \textit{141}, 244102.
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\item \underline{Loos, P. F.} Generalized local-density approximation and one-dimensional uniform electron gases, \textit{Phys. Rev. A}, \textbf{2014}, \textit{89}, 052523.
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\item \underline{Loos, P. F.}; Ball, C. J.; Gill, P. M. W. Uniform electron gases. II. The generalized local density approximation in one dimension, \textit{J. Chem. Phys.}, \textbf{2014}, \textit{140}, 18A524.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Exact wave functions for concentric two-electron systems, \textit{Phys. Lett. A}, \textbf{2014}, \textit{378}, 329.
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\item Bernard, Y. A.; \underline{Loos, P. F.}; Gill, P. M. W. Distribution of $r_{12} \cdot p_{12}$ in quantum systems, \textit{Mol. Phys.}, \textbf{2013}, \textit{111}, 2414.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Uniform electron gases. II. Electrons on a ring, \textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 164124.
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\item \underline{Loos, P. F.} High-density correlation energy expansion of the one-dimensional uniform electron gas, \textit{J. Chem. Phys.}, \textbf{2013}, \textit{138}, 064108.
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\item \underline{Loos, P. F.} Understanding excitons using spherical geometry, \textit{Phys. Lett. A}, \textbf{2012}, \textit{376}, 1997.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Harmonically trapped jellium model, \textit{Mol. Phys.}, \textbf{2012}, \textit{108}, 083002.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Exact wave functions of two-electron quantum rings, \textit{Phys. Rev. Lett.}, \textbf{2012}, \textit{110}, 2337.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Leading-order behavior of the correlation energy in the uniform electron gas, \textit{Int. J. Quantum Chem.}, \textbf{2012}, \textit{112}, 1712.
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\item Gill, P. M. W.; \underline{Loos, P. F.} Uniform electron gases, \textit{Theor. Chem. Acc.}, \textbf{2012}, \textit{131}, 1069.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Thinking outside the box: the uniform electron gas on a hypersphere, \textit{J. Chem. Phys.}, \textbf{2011}, \textit{135}, 214111.
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\item Zhao, Y.; \underline{Loos, P. F.}; Gill, P. M. W. Correlation energy of anisotropic quantum dots, \textit{Phys. Rev. A}, \textbf{2011}, \textit{84}, 032513.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Correlation energy of the spin-polarized uniform electron gas at high density, \textit{Phys. Rev. B}, \textbf{2011}, \textit{84}, 033103.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Exact energy of the spin-polarized two-dimensional electron gas at high density, \textit{Phys. Rev. B}, \textbf{2011}, \textit{83}, 233102.
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\item \underline{Loos, P. F.}; Gill, P. M. W. A tale of two electrons: correlation at high density, \textit{Chem. Phys. Lett.}, \textbf{2010}, \textit{500}, 1.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Invariance of the correlation energy at high density and large dimension for two-electron systems, \textit{Phys. Rev. Lett.}, \textbf{2010}, \textit{105}, 113001.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Excited states of spherium, \textit{Mol. Phys.}, \textbf{2010}, \textit{108}, 2527.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Correlation energy of two electrons in a ball, \textit{J. Chem. Phys.}, \textbf{2010}, \textit{132}, 234111.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Ground state of two electrons on concentric spheres, \textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 052510.
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\item Ambrosek, D. \underline{Loos, P. F.}; Assfeld, X.; Daniel, C. Electronic absorption spectroscopy of Ru(II) polypyridyl DNA intercalators: a theoretical study, \textit{J. Inorg. Biochem.}, \textbf{2010}, \textit{104}, 893.
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\item \underline{Loos, P. F.} Hooke's law correlation in two-electron systems, \textit{Phys. Rev. A}, \textbf{2010}, \textit{81}, 032510.
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\item Dumont, E.; \underline{Loos, P. F.}; Laurent, A.; Assfeld, X. Electronic effects and ring strain influences on the electron uptake by selenium-containing bonds, \textit{Int. J. Quantum Chem.}, \textbf{2010}, \textit{110}, 513.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Correlation energy of two electrons in the high-density limit, \textit{J. Chem. Phys.}, \textbf{2009}, \textit{131}, 241101.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Two electrons on a hypersphere: a quasi-exactly solvable model, \textit{Phys. Rev. Lett.}, \textbf{2009}, \textit{103}, 123008.
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\item \underline{Loos, P. F.}; Gill, P. M. W. Ground state of two electrons on a sphere, \textit{Phys. Rev. A}, \textbf{2009}, \textit{79}, 062517.
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\item \underline{Loos, P. F.}; Dumont, E.; Laurent, A.; Assfeld, X. Important effects of neighboring nucleotides on electron induced DNA single-strand breaks, \textit{Chem. Phys. Lett.}, \textbf{2009}, \textit{475}, 120.
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\item Dumont, E.; Laurent, A.; \underline{Loos, P. F.}; Assfeld, X. Analyzing the selectivity and successiveness of a two-electron capture on a multiply disulfide-linked protein, \textit{J. Chem. Theor. Comput.}, \textbf{2009}, \textit{5}, 1700.
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\item Dumont, E.; \underline{Loos, P. F.}; Assfeld, X. Factors governing electron capture by small disulfide loops in two-cysteines peptides, \textit{J. Phys. Chem. B}, \textbf{2008}, \textit{112}, 13661.
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\item Dumont, E.; \underline{Loos, P. F.}; Laurent, A.; Assfeld, X. Huge disulfide-linkage's reducible potential variation induced by $\alpha$-helix orientation, \textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 1171.
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\item Dumont, E.; \underline{Loos, P. F.}; Assfeld, X. Effect of ring strain on disulfide electron attachment, \textit{Chem. Phys. Lett.}, \textbf{2008}, \textit{458}, 276.
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\item \underline{Loos, P. F.}; Preat, J.; Laurent, A.; Michaux, C.; Jacquemin, D.; Perp\`ete, E. A.; Assfeld, X. Theoretical investigation of the geometries and UV/Vis spectra of Poly(L-glutamic acid) featuring photochromic azobenzene side chain, \textit{J. Chem. Theor. Comput.}, \textbf{2008}, \textit{4}, 637.
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\item \underline{Loos, P. F.}; Assfeld, X. On the frontier bond location in the QM/MM description of the peptides and proteins, \textit{AIP Conf. Proc.}, \textbf{2007}, \textit{963}, 308.
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\item \underline{Loos, P. F.}; Fornili, A.; Sironi, M.; Assfeld, X. Removing the extra frontier parameters in QM/MM methods: a tentative with the Local Self-Consistent Field approach, \textit{Comput. Lett.} \textbf{2007}, \textit{4}, 473.
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\item \underline{Loos, P. F.}; Assfeld, X. Core-ionized and core-excited states of macromolecules, \textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 2343.
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\item Preat, J.; \underline{Loos, P. F.}; Assfeld, X.; Jacquemin, D.; Perp\`ete, E. A. A TD-DFT investigation of UV spectra of pyrano\"idic dyes: a NCM vs. PCM comparison, \textit{J. Mol. Struct. (THEOCHEM)}, \textbf{2007}, \textit{808}, 85.
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\item \underline{Loos, P. F.}; Assfeld, X. Self-Consistent Strictly Localized Orbitals, \textit{J. Chem. Theor. Comput.}, \textbf{2007}, \textit{3}, 1047.
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\item \underline{Loos, P. F.}; Assfeld, X.; Rivail, J.-L. Intramolecular interactions and cis peptidic bonds, \textit{Theor. Chem. Acc.}, \textbf{2007}, \textit{118}, 165.
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\item Preat, J.; \underline{Loos, P. F.}; Assfeld, X.; Jacquemin, D.; Perp\`ete, E. A. DFT and TD-DFT investigation of IR and UV spectra of solvated molecules: comparison of two SCRF continuum models, \textit{Int. J. Quantum Chem.}, \textbf{2007}, \textit{107}, 574.
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\item Rivail, J.-L.; Bouchy, A.; \underline{Loos, P. F.}, Electronic factors favouring the cis conformation in proline peptidic bonds, \textit{J. Argentine Chem. Soc.}, \textbf{2006}, \textit{94}, 19.
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\item Fornili, A.; \underline{Loos, P. F.}; Sironi, M.; Assfeld, X. Frozen core orbitals as an alternative to specific frontier bond potential in hybrid Quantum Mechanics/Molecular Mechanics methods, \textit{Chem. Phys. Lett.}, \textbf{2006}, \textit{427}, 236.
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\item Moreau, Y.; \underline{Loos, P. F.}; 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, \textit{Theor. Chem. Acc.}, \textbf{2004}, \textit{112}, 228.
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\end{enumerate}
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