[38] Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients
J. Toulouse, E. Rebolini, T. Gould, J. F. Dobson, P. Seal, J. G. Ángyán, Journal of Chemical Physics 138, 194106 1-9 (2013) [PDF]
[37] Electronic excitations from a linear-response range-separated hybrid scheme
E. Rebolini, A. Savin, J. Toulouse, Molecular Physics, in press (2013) [PDF]
[36] Electronic excitation energies of molecular systems from the Bethe-Salpeter equation: Example of the H2 molecule
E. Rebolini, J. Toulouse, A. Savin, in "Concepts and Methods in Modern
Theoretical Chemistry, Vol. 1: Electronic Structure and Reactivity", CRC Press, 367-390, (2013) [PDF]
[35] A multiconfigurational hybrid density-functional theory K. Sharkas, A. Savin, H. J. Aa. Jensen, J. Toulouse,
Journal of Chemical Physics 137, 044104 1-10 (2012) [PDF]
[34] Approaching chemical accuracy
with quantum Monte Carlo F. R. Petruzielo, J. Toulouse, C. J. Umrigar,
Journal of Chemical Physics 136, 124116 1-5 (2012) [PDF]
[33] Quantum Monte Carlo facing the
Hartree-Fock symmetry dilemma: The case of hydrogen rings P. Reinhardt, J. Toulouse, R. Assaraf, C. J.
Umrigar, P. E. Hoggan, in "Advances in Quantum Monte Carlo",ACS Symposium Series 1094, 53-63 (2012) [PDF]
[32] Quantum Monte Carlo
calculations of electronic excitation energies: The case of the singlet
n → π∗ (CO) transition in acrolein J. Toulouse, M. Caffarel, P. Reinhardt, P. E. Hoggan, C. J.
Umrigar, in "Advances in the Theory of Quantum Systems in Chemistry and
Physics", Progress in Theoretical Chemistry and Physics 22, 345-353 (2012) [PDF]
[31] Correlation energy expressions
from the adiabatic-connection fluctuation-dissipation theorem approach
J. G.
Ángyán, R.-F. Liu, J. Toulouse, G. Jansen, Journal of
Chemical Theory and Computation 7,
3116–3130
(2011) [PDF]
[30] Rationale for a new class of
double-hybrid approximations in density-functional theory J. Toulouse, K. Sharkas, E. Brémond, C. Adamo, Journal of
Chemical
Physics 135, 101102 (2011) [PDF]
[29] Closed-shell ring coupled
cluster doubles theory with range separation applied on weak
intermolecular interactions J. Toulouse, W. Zhu, A. Savin, G. Jansen, J. G.
Ángyán, Journal of Chemical
Physics 135, 084119 1-8 (2011) [PDF]
[28] Quantum Monte Carlo with
Jastrow-Valence-Bond wave functions B. Braďda, J. Toulouse, M. Caffarel, C. J.
Umrigar, Journal of Chemical
Physics 134, 084108 1-11 (2011) [PDF]
[27] Double-hybrid
density-functional theory made rigorous
K. Sharkas, J. Toulouse, A. Savin, Journal of Chemical
Physics 134, 064113 1-9 (2011)
[PDF]
[26] Basis set construction for
molecular electronic structure theory: Natural orbital and Gauss–Slater
basis for smooth pseudopotentials F. R. Petruzielo, J. Toulouse, C. J. Umrigar,
Journal of Chemical Physics 134, 064104 1-7 (2011) [PDF]
[25] Combining density-functional
theory and density-matrix-functional theory
D. R. Rohr, J. Toulouse, K. Pernal, Physical
Review A 82, 052502 1-4
(2010) [PDF]
[24] Range-separated
density-functional theory with the random phaseapproximation: Detailed formalism and
illustrative applications
J. Toulouse, W. Zhu, J. G. Ángyán, A. Savin, Physical
Review A 82, 032502 1-15
(2010) [PDF]
[23] About the collapse of the 3.3
µm CH stretching band with ionization in polycyclic aromatic
hydrocarbons: Configuration interaction and quantum Monte Carlo studies
of the CH fragment
F. Pauzat, J. Pilmé, J. Toulouse, Y. Ellinger, Journal of
Chemical Physics 133, 054301
1-6 (2010) [PDF]
[22] Range-separated
density-functional theory with random phaseapproximation applied to noncovalent
intermolecular interactions
W. Zhu, J. Toulouse, A. Savin, J. G. Ángyán, Journal of
Chemical Physics 132, 244108
1-9 (2010͒) [PDF]
[21] Compact and flexible basis
functions for quantum Monte Carlo calculations
F. R. Petruzielo, J. Toulouse, C. J. Umrigar,
Journal of Chemical Physics 132,
094109
1-7
(2010͒)
[PDF]
[20] Excited states of methylene
from quantum Monte Carlo
P. M. Zimmerman, J. Toulouse, Z. Zhang, C. B. Musgrave, C. J. Umrigar,
Journal of Chemical Physics 131,
124103
1-7
(2009)
[PDF]
[19] Adiabatic-connection
fluctuation-dissipation density-functional theory based on range
separation
J. Toulouse, I. C. Gerber, G. Jansen, A. Savin,
J. G. Ángyán, Physical Review
Letters 102, 096404 1-4 (2009)
[PDF]
[18] Quantum Monte Carlo study of
the cooperative binding of NO2 to fragment models of carbon
nanotubes
J. W. Lawson, C. W. Bauschlicher Jr,
J. Toulouse, C. Filippi, C. J. Umrigar,
Chemical Physics Letters 466,
170–175 (2008) [PDF]
[17] Full optimization of
Jastrow–Slater wave functions with application to the first-row atoms and homonuclear
diatomic molecules
J. Toulouse, C. J. Umrigar, Journal of Chemical Physics 128, 174101 1-14 (2008) [PDF]
[16] Zero-variance zero-bias quantum
Monte Carlo estimators of the spherically and system-averaged pair
density
J. Toulouse, R. Assaraf, C. J. Umrigar, Journal of Chemical
Physics 126, 244112 1-11 (2007) [PDF]
[15] Alleviation of the Fermion-sign
problem by optimization of many-body wave functions
C. J. Umrigar, J. Toulouse, C. Filippi, S. Sorella, R. G. Hennig,
Physical
Review Letters98,
110201 1-4 (2007) [PDF]
[14] Optimization of
quantum Monte Carlo wave functions by energy minimization
J. Toulouse, C. J. Umrigar, Journal of Chemical Physics 126, 084102 1-16 (2007) [PDF]
[13] On the universality of the
long/short-range separation in multi-configurational density functional
theory
E. Fromager, J. Toulouse, H. J. Aa. Jensen, Journal of Chemical Physics
126, 074111 1-9 (2007) [PDF]
[12] Model hamiltonians in density functional theory
P. Gori-Giorgi, J. Toulouse, A. Savin , in "High-dimensional Partial
Differential Equations in Science and Engineering", CRM Proceedings
& Lecture Notes 41,
117-130
(2007) [PDF]
[11] Local density approximation for
long-range or for short-range energy functionals?
J. Toulouse, A. Savin, Journal of Molecular Structure (Theochem) 762, 147-150 (2006) [PDF]
[10] Scaling relations,
virial theorem and energy densities for long-range and short-range
density functionals
J. Toulouse, P. Gori-Giorgi, A. Savin, International Journal of Quantum
Chemistry 106, 2026-2034
(2006) [PDF]
[9] A short-range
correlation energy density functional with multi-determinantal reference
J. Toulouse, P. Gori-Giorgi, A. Savin,
Theoretical Chemistry Accounts 114,
305-308
(2005)
[PDF]
[8] van der
Waals forces in density functional theory: Perturbational long-range
electron interaction corrections
J. G. Ángyán, I. C. Gerber, A. Savin, J. Toulouse,
Physical Review A 72, 012510
1-9 (2005) [PDF]
[7] Simple model for the static exchange-correlation
kernel of a uniform electron gas with long-range electron-electron
interaction
J. Toulouse, Physical Review B 72,
035117
1-13
(2005)
[PDF]
[6] Exchange-correlation
potentials and local energies per particle along non-linear adiabatic
connection
J. Toulouse, F. Colonna, A. Savin, Molecular Physics 103, 2725-2734 (2005) [PDF]
[5] Short-range exchange and
correlation energy density functionals: Beyond the local density
approximation
J. Toulouse, F. Colonna, A. Savin, Journal of Chemical Physics 122, 014110 1-10 (2005) [PDF]
[4] Long-range/short-range
separation of the electron-electron interaction in density functional
theory
J. Toulouse, F. Colonna, A. Savin, Physical Review A 70, 062505 1-16 (2004) [PDF]
[3] Short-range
exchange-correlation energy of a uniform electron gas with modified
electron-electron interaction
J. Toulouse, A. Savin, H.-J. Flad, International Journal of Quantum
Chemistry 100,
1047-1056 (2004) [PDF]
[2] Validation and
assessment of an accurate approach to the correlation problem in
density functional theory: The Krieger Chen Iafrate Savin model
J. Toulouse, A. Savin, C. Adamo, Journal of
Chemical Physics 117,
10465-10473 (2002) [PDF]
[1] A new hybrid functional including a
meta-GGA approach
J. Toulouse, C. Adamo, Chemical Physics Letters 362, 72-78 (2002) [PDF]
Développements méthodologiques
en chimie quantique : méthodes de Monte Carlo quantique et théorie de
la fonctionnelle de la densité
J. Toulouse, Habilitation ŕ diriger des recherches, Université Pierre et Marie Curie, Paris (2012) [PDF] 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
J. Toulouse, Thčse de doctorat / PhD thesis, Université
Pierre et Marie Curie, Paris (2005)
[PDF]
