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77

Julien Toulouse


Journal articles71 documents

  • Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, Emmanuel Giner, Julien Toulouse. A Density-Based Basis-Set Incompleteness Correction for GW Methods. Journal of Chemical Theory and Computation, American Chemical Society, 2020, 16 (2), pp.1018. ⟨10.1021/acs.jctc.9b01067⟩. ⟨hal-02346969⟩
  • Yuan Yao, Emmanuel Giner, Junhao Li, Julien Toulouse, C. Umrigar. Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method. Journal of Chemical Physics, American Institute of Physics, 2020, 153 (12), pp.124117. ⟨10.1063/5.0018577⟩. ⟨hal-02991165⟩
  • Julien Paquier, Emmanuel Giner, Julien Toulouse. Relativistic short-range exchange energy functionals beyond the local-density approximation. Journal of Chemical Physics, American Institute of Physics, In press. ⟨hal-02480263v2⟩
  • Emmanuel Giner, Anthony Scemama, Pierre-François Loos, Julien Toulouse. A basis-set error correction based on density-functional theory for strongly correlated molecular systems. Journal of Chemical Physics, American Institute of Physics, 2020, 152, pp.174104. ⟨10.1063/5.0002892⟩. ⟨hal-02458920v2⟩
  • Emmanuel Giner, Anthony Scemama, Julien Toulouse, Pierre-Francois Loos. Chemically Accurate Excitation Energies With Small Basis Sets. Journal of Chemical Physics, American Institute of Physics, 2019, 151 (14), pp.144118. ⟨10.1063/1.5122976⟩. ⟨hal-02289341v2⟩
  • Tim Gould, Stefano Pittalis, Julien Toulouse, Eli Kraisler, Leeor Kronik. Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory. Physical Chemistry Chemical Physics, Royal Society of Chemistry, 2019, 21 (36), pp.19805-19815. ⟨10.1039/c9cp03633d⟩. ⟨hal-02332603⟩
  • Yann Garniron, Thomas Applencourt, Kevin Gasperich, Anouar Benali, Anthony Ferté, et al.. Quantum Package 2.0: An Open-Source Determinant-Driven Suite of Programs. Journal of Chemical Theory and Computation, American Chemical Society, 2019, 15 (6), pp.3591-3609. ⟨10.1021/acs.jctc.9b00176⟩. ⟨hal-02045595⟩
  • Pierre-François Loos, Barthélémy Pradines, Anthony Scemama, Julien Toulouse, Emmanuel Giner. A Density-Based Basis-Set Correction for Wave Function Theory. Journal of Physical Chemistry Letters, American Chemical Society, 2019, 10 (11), pp.2931-2937. ⟨10.1021/acs.jpclett.9b01176⟩. ⟨hal-02153216⟩
  • Szymon Smiga, Ireneusz Grabowski, Mateusz Witkowski, Bastien Mussard, Julien Toulouse. Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method. Journal of Chemical Theory and Computation, American Chemical Society, In press, ⟨10.1021/acs.jctc.9b00807⟩. ⟨hal-02420461⟩
  • Felipe Zapata, Eleonora Luppi, Julien Toulouse. Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra. Journal of Chemical Physics, American Institute of Physics, In press, 150, pp.234104. ⟨10.1063/1.5096037⟩. ⟨hal-02072512v2⟩
  • Anthony Ferté, Emmanuel Giner, Julien Toulouse. Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density. Journal of Chemical Physics, American Institute of Physics, In press. ⟨hal-01990358⟩
  • Valerio Olevano, Julien Toulouse, Peter Schuck. A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW +BSE and self-consistent RPA. Journal of Chemical Physics, American Institute of Physics, 2019, 150 (8), pp.084112. ⟨10.1063/1.5080330⟩. ⟨hal-01959688v2⟩
  • Cairedine Kalai, Bastien Mussard, Julien Toulouse. Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations. Journal of Chemical Physics, American Institute of Physics, 2019, 151, pp.074102. ⟨10.1063/1.5108536⟩. ⟨hal-02114946v2⟩
  • Elisa Rebolini, Andrew M. Teale, Trygve Helgaker, Andreas Savin, Julien Toulouse. Excitation energies from Görling-Levy perturbation theory along the range-separated adiabatic connection. Molecular Physics, Taylor & Francis, 2018, , pp.. ⟨10.1080/00268976.2017.1422811⟩. ⟨hal-01643356v2⟩
  • Peter Reinhardt, Julien Toulouse, Andreas Savin. Range-separated density-functional theory applied to the beryllium dimer and trimer. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, In press. ⟨hal-01879159⟩
  • Marie Labeye, Felipe Zapata, Emanuele Coccia, Valérie Véniard, Julien Toulouse, et al.. On the optimal basis set for electron dynamics in strong laser fields: The case of molecular ion H2+. Journal of Chemical Theory and Computation, American Chemical Society, 2018, 14 (11), pp.5846-5858. ⟨10.1021/acs.jctc.8b00656⟩. ⟨hal-02004937⟩
  • Cairedine Kalai, Julien Toulouse. A general range-separated double-hybrid density-functional theory. Journal of Chemical Physics, American Institute of Physics, In press, 148, pp.164105. ⟨hal-01761092⟩
  • Erik Hedegård, Julien Toulouse, Hans Jørgen Jensen. Multiconfigurational short-range density-functional theory for open-shell systems. Journal of Chemical Physics, American Institute of Physics, 2018, 148, pp.214103. ⟨10.1063/1.5013306⟩. ⟨hal-01832349⟩
  • Emmanuel Giner, Barthélémy Pradines, Anthony Ferté, Roland Assaraf, Andreas Savin, et al.. Curing basis-set convergence of wave-function theory using density-functional theory: a systematically improvable approach. Journal of Chemical Physics, American Institute of Physics, 2018, 149, pp.194301. ⟨10.1063/1.5052714⟩. ⟨hal-01865504⟩
  • Julien Paquier, Julien Toulouse. Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation. Journal of Chemical Physics, American Institute of Physics, 2018. ⟨hal-01942323⟩
  • Bastien Mussard, Julien Toulouse. Fractional-charge and fractional-spin errors in range-separated density-functional theory. Molecular Physics, Taylor & Francis, 2017, 115 (1-2), pp.161. ⟨10.1080/00268976.2016.1213910⟩. ⟨hal-01344404⟩
  • Bastien Mussard, Emanuele Coccia, Roland Assaraf, Matt Otten, C. J. Umrigar, et al.. Time-dependent linear-response variational Monte Carlo. Advances in Quantum Chemistry, 2017, Novel Electronic Structure Theory: General Innovations and Strongly Correlated Systems. ⟨hal-01528081⟩
  • Tim Gould, Julien Toulouse, JÁnos ÁngyÁn, John F. Dobson. Casimir-Polder size consistency – a constraint violated by some dispersion theories. Journal of Chemical Theory and Computation, American Chemical Society, 2017, 13, pp.5829. ⟨10.1021/acs.jctc.7b00996⟩. ⟨hal-01644099⟩
  • Emanuele Coccia, Roland Assaraf, Eleonora Luppi, Julien Toulouse. Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets. Journal of Chemical Physics, American Institute of Physics, 2017, 147, pp.014106. ⟨10.1063/1.4991563⟩. ⟨hal-01546677⟩
  • Emanuele Coccia, Bastien Mussard, Marie Labeye, Jérémie Caillat, Richard Taïeb, et al.. Gaussian continuum basis functions for calculating high-harmonic generation spectra. International Journal of Quantum Chemistry, Wiley, 2016, 116, pp.1120. ⟨10.1002/qua.25146⟩. ⟨hal-01277883v2⟩
  • Emmanuel Giner, Roland Assaraf, Julien Toulouse. Quantum Monte Carlo with reoptimised perturbatively selected configuration-interaction wave functions. Molecular Physics, Taylor & Francis, 2016, 114, pp.910. ⟨10.1080/00268976.2016.1149630⟩. ⟨hal-01260326⟩
  • Julien Toulouse, Roland Assaraf, C. J. Umrigar. Introduction to the variational and diffusion Monte Carlo methods. Advances in Quantum Chemistry, 2016, Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry, 73, pp.285. ⟨10.1016/bs.aiq.2015.07.003⟩. ⟨hal-01183633⟩
  • Szymon Smiga, Odile Franck, Bastien Mussard, Adam Buksztel, Ireneusz Grabowski, et al.. Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method. Journal of Chemical Physics, American Institute of Physics, 2016, 145, pp.144102. ⟨10.1063/1.4964319⟩. ⟨hal-01346158v2⟩
  • Elisa Rebolini, Julien Toulouse. Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel. Journal of Chemical Physics, American Institute of Physics, 2016, 144, pp.094107. ⟨10.1063/1.4943003⟩. ⟨hal-01184145v3⟩
  • Giuseppe Sansone, Bartolomeo Civalleri, Denis Usvyat, Julien Toulouse, Kamal Sharkas, et al.. Range-separated double-hybrid density-functional theory applied to periodic systems. Journal of Chemical Physics, American Institute of Physics, 2015, 143, pp.102811. ⟨10.1063/1.4922996⟩. ⟨hal-01165841⟩
  • Bastien Mussard, Peter Reinhardt, Janos Angyan, Julien Toulouse. Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights.. Journal of Chemical Physics, American Institute of Physics, 2015, pp.00. ⟨10.1063/1.4918710⟩. ⟨hal-01141968v2⟩
  • Odile Franck, Bastien Mussard, Eleonora Luppi, Julien Toulouse. Basis convergence of range-separated density-functional theory. Journal of Chemical Physics, American Institute of Physics, 2015, 142, pp.074107. ⟨10.1063/1.4907920⟩. ⟨hal-01081816v2⟩
  • Thierry Leininger, Julien Toulouse. Relever le défi de la résolution de l'équation de Schrödinger. L'Actualité Chimique, Société chimique de France, 2014, 382-383, pp.13-21. ⟨hal-00927103⟩
  • Tim Gould, Julien Toulouse. Kohn-Sham potentials in exact density-functional theory at noninteger electron numbers. Physical Review A, American Physical Society, 2014, 90, pp.050502(R). ⟨10.1103/PhysRevA.90.050502⟩. ⟨hal-01081808⟩
  • Sidi Souvi, Kamal Sharkas, Julien Toulouse. Double-hybrid density-functional theory with meta-generalized-gradient approximations. Journal of Chemical Physics, American Institute of Physics, 2014, 140, pp.084107. ⟨10.1063/1.4865963⟩. ⟨hal-00920176v2⟩
  • Kamal Sharkas, Julien Toulouse, Lorenzo Maschio, Bartolomeo Civalleri. Double-hybrid density-functional theory applied to molecular crystals. Journal of Chemical Physics, American Institute of Physics, 2014, 141, pp.044105. ⟨10.1063/1.4890439⟩. ⟨hal-01018205⟩
  • Elisa Rebolini, Julien Toulouse, Andrew M. Teale, Trygve Helgaker, Andreas Savin. Excitation energies along a range-separated adiabatic connection. Journal of Chemical Physics, American Institute of Physics, 2014, 141, pp.044123. ⟨10.1063/1.4890652⟩. ⟨hal-00985367v2⟩
  • Elisa Rebolini, Andreas Savin, Julien Toulouse. Electronic excitations from a linear- response range-separated hybrid scheme. Molecular Physics, Taylor & Francis, 2013, 111 (9-11), pp.10.1080/00268976.2013.794313. ⟨hal-00808223⟩
  • Julien Toulouse, Elisa Rebolini, Tim Gould, John F. Dobson, Prasenjit Seal, et al.. Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients. Journal of Chemical Physics, American Institute of Physics, 2013, 138, pp.194106. ⟨10.1063/1.4804981⟩. ⟨hal-00819369v2⟩
  • Alexandrina Stoyanova, Andrew M. Teale, Julien Toulouse, Trygve Helgaker, Emmanuel Fromager. Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory. Journal of Chemical Physics, American Institute of Physics, 2013, 139, pp.134113. ⟨hal-00967719⟩
  • Frank R. Petruzielo, Julien Toulouse, C. J. Umrigar. Approaching chemical accuracy with quantum Monte Carlo. Journal of Chemical Physics, American Institute of Physics, 2012, 136, pp.124116. ⟨10.1063/1.3697846⟩. ⟨hal-00974223⟩
  • Kamal Sharkas, Andreas Savin, Hans Jørgen Jensen, Julien Toulouse. A multiconfigurational hybrid density-functional theory. Journal of Chemical Physics, American Institute of Physics, 2012, 137 (4), pp.044104. ⟨10.1063/1.4733672⟩. ⟨hal-00724033⟩
  • Frank R. Petruzielo, Julien Toulouse, C. J. Umrigar. Basis set construction for molecular electronic structure theory: Natural orbital and Gauss-Slater basis for smooth pseudopotentials. Journal of Chemical Physics, American Institute of Physics, 2011, 134, pp.064104. ⟨10.1063/1.3551512⟩. ⟨hal-00974320⟩
  • Benoît Braïda, Julien Toulouse, Michel Caffarel, C. J. Umrigar. Quantum Monte Carlo with Jastrow-valence-bond wave functions. Journal of Chemical Physics, American Institute of Physics, 2011, 134 (8), pp.084108. ⟨10.1063/1.3555821⟩. ⟨hal-00553700v2⟩
  • János G. Angyán, Ru-Fen Liu, Julien Toulouse, Georg Jansen. Correlation energy expressions from the adiabatic-connection fluctuation-dissipation theorem approach. Journal of Chemical Theory and Computation, American Chemical Society, 2011, 7, pp.3116. ⟨10.1021/ct200501r⟩. ⟨hal-00967703⟩
  • Julien Toulouse, Wuming Zhu, Andreas Savin, Georg Jansen, János G. Angyán. Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions. Journal of Chemical Physics, American Institute of Physics, 2011, 135 (8), pp.084119. ⟨10.1063/1.3626551⟩. ⟨hal-00612814v2⟩
  • Kamal Sharkas, Julien Toulouse, Andreas Savin. Double-hybrid density-functional theory made rigorous. Journal of Chemical Physics, American Institute of Physics, 2011, 134 (6), pp.064113. ⟨10.1063/1.3544215⟩. ⟨hal-00550562v2⟩
  • Julien Toulouse, Kamal Sharkas, Eric Brémond, Carlo Adamo. Rationale for a new class of double-hybrid approximations in density-functional theory. Journal of Chemical Physics, American Institute of Physics, 2011, 135 (10), pp.101102. ⟨10.1063/1.3640019⟩. ⟨hal-00618140⟩
  • Frank R. Petruzielo, Julien Toulouse, C. J. Umrigar. Compact and flexible basis functions for quantum Monte Carlo calculations. Journal of Chemical Physics, American Institute of Physics, 2010, 132, pp.094109. ⟨10.1063/1.334206⟩. ⟨hal-00978167⟩
  • Julien Toulouse, Wuming Zhu, János G. Angyán, Andreas Savin. Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications. Physical Review A, American Physical Society, 2010, 82, pp.032502. ⟨10.1103/PhysRevA.82.032502⟩. ⟨hal-00975110⟩
  • Daniel R. Rohr, Julien Toulouse, Katarzyna Pernal. Combining density-functional theory and density-matrix-functional theory. Physical Review A, American Physical Society, 2010, 82, pp.052502. ⟨10.1103/PhysRevA.82.052502⟩. ⟨hal-00974324⟩
  • Wuming Zhu, Julien Toulouse, Andreas Savin, János G. Angyán. Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions. Journal of Chemical Physics, American Institute of Physics, 2010, 132, pp.244108. ⟨10.1063/1.3431616⟩. ⟨hal-00976481⟩
  • Julien Toulouse, I.C. Gerber, Georg Jansen, Andreas Savin, János G. Angyán. Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation. Physical Review Letters, American Physical Society, 2009, 102, pp.096404. ⟨10.1103/PhysRevLett.102.096404⟩. ⟨hal-00978055⟩
  • Julien Toulouse, C. J. Umrigar. Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules. Journal of Chemical Physics, American Institute of Physics, 2008, 128, pp.174101. ⟨10.1063/1.2908237⟩. ⟨hal-00979110⟩
  • Julien Toulouse, Roland Assaraf, C. J. Umrigar. Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density. Journal of Chemical Physics, American Institute of Physics, 2007, 126, pp.244112. ⟨10.1063/1.2746029⟩. ⟨hal-00979441⟩
  • C. J. Umrigar, Julien Toulouse, Claudia Filippi, Sandro Sorella, Richard G. Hennig. Alleviation of the Fermion-sign problem by optimization of many-body wave functions. Physical Review Letters, American Physical Society, 2007, 98, pp.110201. ⟨10.1103/PhysRevLett.98.110201⟩. ⟨hal-00981187⟩
  • Julien Toulouse, C. J. Umrigar. Optimization of quantum Monte Carlo wave functions by energy minimization. Journal of Chemical Physics, American Institute of Physics, 2007, 126, pp.084102. ⟨10.1063/1.2437215⟩. ⟨hal-00981188⟩
  • Julien Toulouse, Paola Gori-Giorgi, Andreas Savin. Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals. International Journal of Quantum Chemistry, Wiley, 2006, 106, pp.2026. ⟨10.1002/qua.20813⟩. ⟨hal-00981828⟩
  • Julien Toulouse, Andreas Savin. Local density approximation for long-range or for short-range energy functionals?. Journal of Molecular Structure: THEOCHEM, Elsevier, 2006, 762, pp.147. ⟨10.1016/j.theochem.2005.10.014⟩. ⟨hal-00981823⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Exchange-correlation potentials and local energies per particle along non-linear adiabatic connections. Molecular Physics, Taylor & Francis, 2005, 103, pp.2725-2734. ⟨hal-00023285⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Exchange-correlation potentials and local energies per particle along nonlinear adiabatic connections. Molecular Physics, Taylor & Francis, 2005, 103, pp.2725. ⟨10.1080/00268970500134615⟩. ⟨hal-00981840⟩
  • Julien Toulouse. Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction. Physical Review B: Condensed Matter and Materials Physics (1998-2015), American Physical Society, 2005, 72, pp.035117. ⟨10.1103/PhysRevB.72.035117⟩. ⟨hal-00981838⟩
  • Julien Toulouse, Paola Gori-Giorgi, Andreas Savin. A short-range correlation energy density functional with multi-determinantal reference. Theoretical Chemistry Accounts: Theory, Computation, and Modeling, Springer Verlag, 2005, 114, pp.305. ⟨10.1007/s00214-005-0688-2⟩. ⟨hal-00981834⟩
  • János G. Angyán, I.C. Gerber, Andreas Savin, Julien Toulouse. van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections. Physical Review A, American Physical Society, 2005, 72, pp.012510. ⟨10.1103/PhysRevA.72.012510⟩. ⟨hal-00981837⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Short-range exchange and correlation energy density functionals: beyond the local density approximation. Journal of Chemical Physics, American Institute of Physics, 2005, 122, pp.014110. ⟨hal-00023284⟩
  • Julien Toulouse, Andreas Savin, Heinz-Juergen Flad. Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction. International Journal of Quantum Chemistry, Wiley, 2004, 100, pp.1047. ⟨10.1002/qua.20259⟩. ⟨hal-00981847⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Long-range-short-range separation of the electron-electron interaction in density-functional theory. Physical Review A, American Physical Society, 2004, 70, pp.062505. ⟨10.1103/PhysRevA.70.062505⟩. ⟨hal-00981846⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Long-range/short-range separation of the electron-electron interaction in density functional theory. Physical Review A, American Physical Society, 2004, 70, pp.062505. ⟨hal-00023283⟩
  • Julien Toulouse, Francois Colonna, Andreas Savin. Short-range exchange and correlation energy density functionals: Beyond the local-density approximation. Journal of Chemical Physics, American Institute of Physics, 2004, 122, pp.014110. ⟨10.1063/1.1824896⟩. ⟨hal-00981845⟩
  • Julien Toulouse, Carlo Adamo. A new hybrid functional including a meta-GGA approach. Chemical Physics Letters, Elsevier, 2002, 362, pp.72. ⟨10.1016/S0009-2614(02)00950-8⟩. ⟨hal-00981219⟩
  • Julien Toulouse, Andreas Savin, Carlo Adamo. Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Krieger Chen Iafrate Savin model. Journal of Chemical Physics, American Institute of Physics, 2002, 117 (23), pp.10465. ⟨10.1063/1.1521432⟩. ⟨hal-00981216⟩

Book sections4 documents

  • Elisa Rebolini, Julien Toulouse, Andreas Savin. Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule. Swapan Kumar Ghosh and Pratim Kumar Chattaraj. Concepts and Methods in Modern Theoretical Chemistry: Electronic Structure and Reactivity, CRC Press, pp.367-390, 2013, Atoms, Molecules, and Clusters. ⟨hal-00727788⟩
  • Peter Reinhardt, Julien Toulouse, Roland Assaraf, C. J. Umrigar, Philip Hoggan. Quantum Monte Carlo facing the Hartree-Fock symmetry dilemma: The case of hydrogen rings. S. Tanaka, S. M. Rothstein, and W. A. Lester, Jr. Advances in Quantum Monte Carlo, ACS, pp.53, 2012, ACS Symposium Series, Vol. 1094, ⟨10.1021/bk-2012-1094.ch005⟩. ⟨hal-00609374⟩
  • Julien Toulouse, Michel Caffarel, Peter Reinhardt, Philip Hoggan, C. J. Umrigar. Quantum Monte Carlo calculations of electronic excitation energies: the case of the singlet n to pi* (CO) transition in acrolein. P. E. Hoggan, J. Maruani, P. Piecuch, G. Delgado-Barrio and E. J. Brandas. Advances in the Theory of Quantum Systems in Chemistry and Physics, Springer, pp.343-351, 2011, Progress in Theoretical Chemistry and Physics, Vol. 22, ⟨10.1007/978-94-007-2076-3⟩. ⟨hal-00550057⟩
  • Paola Gori-Giorgi, Julien Toulouse, Andreas Savin. Model hamiltonians in density functional theory. André Bandrauk, Michel C. Delfour, Claude Le Bris. High-Dimensional Partial Differential Equations in Science and Engineering, AMS, pp.117, 2007, CRM Proceedings & Lecture Notes Vol. 41. ⟨hal-00981803⟩

Theses1 document

  • Julien Toulouse. Extension multidéterminantale de la méthode de Kohn-Sham en théorie de la fonctionnelle de la densité par décomposition de l'interaction électronique en contributions de longue portée et de courte portée. Chimie. Université Pierre et Marie Curie - Paris VI, 2005. Français. ⟨NNT : 2005PA066252⟩. ⟨tel-00550772⟩

Habilitation à diriger des recherches1 document

  • Julien Toulouse. Développements méthodologiques en chimie quantique : méthodes de Monte Carlo quantique et théorie de la fonctionnelle de la densité. Chimie théorique et/ou physique. Université Pierre et Marie Curie - Paris VI, 2012. ⟨tel-00851489⟩