[95] Accelerated basis-set convergence of coupled-cluster
excitation energies using the density-based basis-set correction
method
D. Traore, J. Toulouse, E. Giner, submitted to Faraday Discussions.
[PDF] [HAL] [arXiv]
[94] A density-fitting implementation of the density-based
basis-set correction method
A. Heßelmann, E. Giner, P. Reinhardt, P. J. Knowles, H.-J. Werner,
J. Toulouse, Journal of Computational Chemistry, 1-7 (2024).
[PDF]
[sup
mat] [HAL] [arXiv]
[93] Review of approximations for the exchange-correlation
energy in density-functional theory
J. Toulouse, in "Density Functional Theory", Mathematics and
Molecular Modeling, Springer, 1-90 (2023)
[PDF] [HAL] [arXiv]
[92] Effective quantum electrodynamics: One-dimensional model of
the relativistic hydrogen-like atom
T. Audinet, J. Toulouse, Journal of Chemical Physics 158,
244108 1-14 (2023)
[PDF] [HAL] [arXiv]
[91] Basis-set correction based on density-functional theory:
Linear-response formalism for excited-state energies
D. Traore, E. Giner, J. Toulouse, Journal of Chemical Physics
158, 234107 1-9 (2023)
[PDF] [sup mat]
[HAL] [arXiv]
[90] Semiclassical approximations of photoabsorption cross
sections beyond the continuum threshold
J. Toulouse, European Physical Journal A 59, 98 1-9 (2023)
[PDF] [HAL] [arXiv]
[89] The Valence-Bond Quantum Monte Carlo Method
S. Radenković, D. Domin, J. Toulouse, B. Braďda, in "Reference
Module in Chemistry, Molecular Sciences and Chemical Engineering",
Elsevier, 1-23 (2022)
[PDF] [HAL] [arXiv]
[88] Photoionization and core resonances from range-separated
time-dependent density-functional theory for open-shell states:
Example of the lithium atom
J. Toulouse, K. Schwinn, F. Zapata, A. Levitt, E. Cancčs, E. Luppi,
Journal of Chemical Physics 157, 244104 1-9 (2022)
[PDF] [HAL] [arXiv]
[87] Systematic lowering of the scaling of Monte Carlo
calculations by partitioning and subsampling
A. Bienvenu, J. Feldt, J. Toulouse, R. Assaraf, Physical Review E 106,
025301 1-5 (2022)
[PDF] [HAL] [arXiv]
[86] Photoionization and core resonances from range-separated
density-functional theory: General formalism and example of the
beryllium atom
K. Schwinn, F. Zapata, A. Levitt, E. Cancčs, E. Luppi, J. Toulouse,
Journal of Chemical Physics 156, 224106 1-14 (2022)
[PDF] [HAL] [arXiv]
[85] Basis-set correction for coupled-cluster estimation of
dipole moments
D. Traore, J. Toulouse, E. Giner, Journal of Chemical Physics 156,
174101 1-9 (2022)
[PDF] [sup mat]
[HAL] [arXiv]
[84] Basis-set correction based on density-functional theory:
Rigorous framework for a one-dimensional model
D. Traore, E. Giner, J. Toulouse, Journal of Chemical Physics
156, 044113 1-13 (2022) JCP Editor's pick
[PDF] [HAL] [arXiv]
[83]
Accurate energies of transition metal atoms, ions, and monoxides
using selected configuration interaction and density-based
basis-set corrections Y. Yao, E. Giner, T. A. Anderson, J. Toulouse, C. J. Umrigar,
Journal of Chemical Physics 155, 204104 1-10 (2021)
[PDF] [sup mat] [HAL] [arXiv]
[82] Self-consistent density-based basis-set correction: How
much do we lower total energies and improve dipole moments?
E. Giner, D. Traore, B. Pradines, J. Toulouse, Journal of Chemical
Physics 155, 044109 1-11 (2021)
[PDF] [HAL] [arXiv]
[81] Relativistic density-functional theory based on effective
quantum electrodynamics
J. Toulouse,
SciPost Chem. 1, 002 1-34 (2021)
[PDF] [HAL] [arXiv]
[80] Short-range correlation energy of the relativistic
homogeneous electron gas
J. Paquier, J. Toulouse, International Journal of Quantum Chemistry,
e26685 1-11 (2021)
[PDF] [HAL] [arXiv]
[79]
Almost exact energies for the Gaussian-2 set with the
semistochastic heat-bath configuration interaction method
Y. Yao, E. Giner, J. Li, J. Toulouse, C. J. Umrigar, Journal
of Chemical Physics 153, 124117 1-13 (2020)
[PDF] [sup mat] [HAL] [arXiv]
[78] Relativistic short-range exchange energy functionals beyond
the local-density approximation
J. Paquier, E. Giner, J. Toulouse, Journal of Chemical Physics 152,
214106 1-11 (2020)
[PDF] [sup mat] [HAL] [arXiv]
[77] A basis-set error correction based on density-functional
theory for strongly correlated molecular systems
E. Giner, A. Scemama, P.-F. Loos, J. Toulouse, Journal of Chemical
Physics 152, 174104 1-16 (2020) JCP Editor's pick
[PDF] [HAL] [arXiv]
[76] Density-based basis-set incompleteness correction for GW
methods
P.-F. Loos, B. Pradines, A. Scemama, E. Giner, J. Toulouse, Journal
of Chemical Theory and Computation 16, 1018-1028 (2020)
[PDF] [sup mat] [HAL] [arXiv]
[75] Self-consistent range-separated density-functional theory
with second-order perturbative correction via the
optimized-effective-potential method
S. Śmiga, I. Grabowski, M. Witkowski, B. Mussard, J. Toulouse,
Journal of Chemical Theory and Computation 16, 211-223
(2020)
[PDF] [HAL] [arXiv]
[74] Chemically accurate excitation energies with small basis
sets
E. Giner, A. Scemama, J. Toulouse, P.-F. Loos, Journal of Chemical
Physics 151, 144118 1-10 (2019)
[PDF] [sup mat] [HAL] [ChemRxiv]
[73] Asymptotic behavior of the Hartree-exchange and correlation
potentials in ensemble density functional theory
T. Gould, S. Pittalis, J. Toulouse, E. Kraisler, L. Kronik, Physical Chemistry Chemical Physics 21,
19805-19815 (2019) HOT PCCP article
[PDF] [HAL] [ChemRxiv]
[72] Range-separated double-hybrid density-functional theory
with coupled-cluster and random-phase approximations
C. Kalai, B. Mussard, J. Toulouse, Journal of Chemical Physics
151, 074102 1-11 (2019)
[PDF] [HAL] [arXiv]
[71] Linear-response range-separated density-functional theory
for atomic photoexcitation and photoionization spectra
F. Zapata, E. Luppi, J. Toulouse, Journal of Chemical Physics 150,
234104 1-10 (2019)
[PDF] [HAL] [arXiv]
[70] Quantum Package 2.0: An open-source determinant-driven
suite of programs Y. Garniron, T. Applencourt, K. Gasperich, A. Benali, A. Ferté,
J. Paquier, B. Pradines, R. Assaraf, P. Reinhardt, J. Toulouse, P.
Barbaresco, N. Renon, G. David, J.-P. Malrieu, M. Véril, M.
Caffarel, P.-F. Loos, E. Giner, A. Scemama, Journal of Chemical
Theory and Computation 15, 3591-3609 (2019)
[PDF]
[HAL] [arXiv] [ChemRxiv]
[69] A density-based basis-set correction for wave function
theory
P.-F. Loos, B. Pradines, A. Scemama, J. Toulouse, E. Giner, Journal
of Physical Chemistry Letters 10, 2931-2937 (2019)
[PDF] [sup mat] [HAL] [arXiv] [ChemRxiv]
[68] A formally exact one-frequency-only Bethe-Salpeter-like
equation. Similarities and differences between GW+BSE and
self-consistent RPA
V. Olevano, J. Toulouse, P. Schuck, Journal of Chemical Physics 150,
084112 1-12 (2019) JCP Editor's pick
[PDF] [HAL] [arXiv]
[67] Range-separated multideterminant density-functional theory
with a short-range correlation functional of the on-top pair
density
A. Ferté, E. Giner, J. Toulouse, Journal of Chemical Physics 150,
084103 1-10 (2019) JCP Editor's pick
[PDF] [HAL] [arXiv]
[66] Curing basis-set convergence of wave-function theory using
density-functional theory: A systematically improvable approach
E. Giner, B. Pradines, A. Ferté, R. Assaraf, A. Savin, J. Toulouse,
Journal of Chemical Physics 149, 194301 1-15 (2018) JCP
Editor's pick
[PDF] [HAL] [arXiv]
[65] Four-component relativistic range-separated
density-functional theory: Short-range exchange local-density
approximation
J. Paquier, J. Toulouse, Journal of Chemical Physics 149,
174110 1-13 (2018)
[PDF] [sup mat] [HAL] [arXiv]
[64] Range-separated density-functional theory applied to the
beryllium dimer and trimer P. Reinhardt, J. Toulouse, A. Savin, Theoretical Chemistry
Accounts 137, 168 1-8 (2018)
[PDF] [sup mat] [HAL] [arXiv]
[63] On the optimal basis set for electron dynamics in strong
laser fields: The case of molecular ion H2+ M. Labeye, F. Zapata, E. Coccia, V. Véniard, J. Toulouse, J.
Caillat, R. Taı̈eb, E. Luppi, Journal of Chemical Theory and
Computation 14, 5846-5858 (2018)
[PDF] [sup mat] [HAL] [arXiv]
[62] Multiconfigurational short-range density-functional theory
for open-shell systems
E. D. Hedegĺrd, J. Toulouse, H. J. Aa. Jensen, Journal of Chemical
Physics 148, 214103 1-15 (2018)
[PDF] [HAL] [arXiv]
[61] A general range-separated double-hybrid density-functional
theory C. Kalai, J. Toulouse, Journal of Chemical Physics 148,
164105 1-16 (2018) JCP Editor's pick,JCP Editors' Choice
for 2018
[PDF] [HAL] [arXiv]
[60] Excitation energies from Görling-Levy perturbation theory
along the range-separated adiabatic connection
E. Rebolini, A. M. Teale, T. Helgaker, A. Savin, J. Toulouse,
Molecular Physics 116, 1443-1451 (2018)
[PDF] [HAL] [arXiv]
[59] Time-dependent linear-response variational Monte Carlo
B. Mussard, E. Coccia, R. Assaraf, M. Otten, C. J. Umrigar, J.
Toulouse, Advances in Quantum Chemistry Vol. 76, 255-270
(2018)
[PDF] [HAL] [arXiv]
[58] Casimir-Polder size consistency - a constraint violated by
some dispersion theories
T. Gould, J. Toulouse, J. G. Ángyán, J. F. Dobson, Journal of
Chemical Theory and Computation 13, 5829-5833 (2017)
[PDF] [HAL] [arXiv]
[57] Ab initio lifetime correction to scattering states for
time-dependent electronic-structure calculations with incomplete
basis sets
E. Coccia, R. Assaraf, E. Luppi, J. Toulouse, Journal of Chemical
Physics 147, 014106 1-9 (2017)
[PDF] [HAL] [arXiv]
[56] Fractional-charge and fractional-spin errors in
range-separated density-functional theory
B. Mussard, J. Toulouse, Molecular Physics 115, 161-173
(2017)
[PDF] [HAL] [arXiv]
[55] Self-consistent double-hybrid density-functional theory
using the optimized-effective-potential method
S. Śmiga, O. Franck, B. Mussard, A. Buksztel, I. Grabowski, E.
Luppi, J. Toulouse, Journal of Chemical Physics 145, 144102
1-12 (2016)
[PDF] [HAL] [arXiv]
[54] Blind test of density-functional-based methods on
intermolecular interaction energies
D. E. Taylor, J. G. Ángyán, G. Galli, C. Zhang, F. Gygi, K. Hirao,
J.-W. Song, K. Rahul, O. A. von Lilienfeld, R. Podeszwa, I. W.
Bulik, T. M. Henderson, G. E. Scuseria, J. Toulouse, R. Peverati, D.
G. Truhlar, K. Szalewicz, Journal of Chemical Physics 145,
124105 1-20 (2016)
[PDF]
[sup
mat] [HAL]
[53] Gaussian continuum basis functions for calculating
high-harmonic generation spectra
E. Coccia, B. Mussard, M. Labeye, J. Caillat, R. Taďeb, J. Toulouse,
E. Luppi, International Journal of Quantum Chemistry 116,
1120-1131 (2016)
[PDF] [HAL] [arXiv]
[52] Quantum Monte Carlo with reoptimised perturbatively
selected configuration-interaction wave functions
E. Giner, R. Assaraf, J. Toulouse, Molecular Physics 114,
910-920 (2016)
[PDF] [HAL] [arXiv]
[51] Range-separated time-dependent density-functional theory
with a frequency-dependent second-order Bethe-Salpeter correlation
kernel
E. Rebolini, J. Toulouse, Journal of Chemical Physics 144,
094107 1-14 (2016)
[PDF] [HAL] [arXiv]
[50] Introduction to the variational and
diffusion Monte Carlo methods J. Toulouse, R. Assaraf, C. J. Umrigar, Advances in Quantum
Chemistry Vol. 73, 285-314 (2016)
[PDF] [HAL] [arXiv]
[49] Range-separated
double-hybrid density-functional theory applied to periodic
systems
G. Sansone, B. Civalleri, D. Usvyat, J. Toulouse, K. Sharkas, L.
Maschio, Journal of Chemical Physics 143, 102811 1-11 (2015)
[PDF] [sup mat] [HAL] [arXiv]
[48] Spin-unrestricted random-phase
approximation with range separation: Benchmark on atomization
energies and reaction barrier heights
B. Mussard, P. Reinhardt, J. G. Ángyán, J. Toulouse, Journal of
Chemical Physics 142, 154123 1-8 (2015)
[PDF] [Erratum] [sup mat] [HAL] [arXiv]
[47] Calculating excitation energies by
extrapolation along adiabatic connections
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker, A. Savin,
Physical Review A 91, 032519 1-8 (2015)
[PDF] [HAL] [arXiv]
[46] Excited
states from range-separated density-functional perturbation theory
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker, A. Savin,
Molecular Physics 113, 1740-1749 (2015)
[PDF] [HAL] [arXiv]
[45] Basis convergence of range-separated
density-functional theory
O. Franck, B. Mussard, E. Luppi, J. Toulouse, Journal of Chemical
Physics 142, 074107 1-9 (2015)
[PDF] [HAL] [arXiv]
[44] Kohn-Sham
potentials in exact density-functional theory at noninteger
electron numbers
T. Gould, J. Toulouse, Physical Review A 90, 050502(R) 1-5
(2014)
[PDF] [sup mat] [HAL] [arXiv]
[43] Excitation
energies along a range-separated adiabatic connection
E. Rebolini, J. Toulouse, A. M. Teale, T. Helgaker, A. Savin,
Journal of Chemical Physics 141,
044123 1-9 (2014)
[PDF] [sup mat] [HAL] [arXiv]
[42] Double-hybrid
density-functional theory applied to molecular crystals
K. Sharkas, J. Toulouse, L. Maschio, B. Civalleri, Journal of
Chemical Physics 141,
044105 1-8 (2014)
[PDF] [HAL] [arXiv]
[41] Relever le
défi de la résolution de l’équation de Schrödinger
T. Leininger, J. Toulouse, L'Actualité Chimique 382-383, 13-21 (2014)
[PDF] [HAL]
[40] Double-hybrid
density-functional theory with meta-generalized-gradient
approximations
S. M. O. Souvi, K. Sharkas, J. Toulouse, Journal of Chemical Physics
140, 084107 1-6 (2014)
[PDF] [sup
mat] [HAL] [arXiv]
[39] Alternative
separation of exchange and correlation energies in
multi-configuration range-separated density-functional theory
A. Stoyanova, A. M. Teale, J. Toulouse, T. Helgaker, E. Fromager,
Journal of Chemical Physics 139,
134113 1-16 (2013)
[PDF] [HAL] [arXiv]
[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] [HAL] [arXiv]
[37] Electronic
excitations from a linear-response range-separated hybrid scheme
E. Rebolini, A. Savin, J. Toulouse, Molecular Physics 111, 1219-1234
(2013)
[PDF] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [sup mat] [HAL] [arXiv] JCP Editors' Choice
for 2012
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv] JCP Editors' Choice
for 2011
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[27] Double-hybrid
density-functional
theory made rigorous
K. Sharkas, J. Toulouse, A. Savin, Journal of Chemical Physics 134, 064113 1-9 (2011)
[PDF] [HAL] [arXiv] JCP Editors' Choice
for 2011
[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] [sup mat] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL]
[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]
[HAL] [arXiv] Highly Cited Paper
(ISI Web of Knowledge)
[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]
[HAL]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [Erratum] [HAL] [arXiv] Highly Cited Paper
(ISI Web of Knowledge)
[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] [HAL] [arXiv]
[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] [HAL]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv] Highly Cited Paper
(ISI Web of Knowledge)
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv]
[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] [HAL] [arXiv] Highly Cited Paper
(ISI Web of Knowledge)
[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] [HAL] [arXiv]
[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] [HAL]
[1] A new hybrid functional including a meta-GGA
approach
J. Toulouse, C. Adamo, Chemical Physics Letters 362, 72-78 (2002)
[PDF] [HAL]
Autres
publications / other publications
Foreword for special issue of Molecular Physics in
honour of Andreas Savin
P. Gori-Giorgi, T. Helgaker, G. Scuseria, B. Silvi, J. Toulouse,
Molecular Physics 114, 909, (2016)
[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] [TEL] 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] [TEL]