List of works - Julien Toulouse

A basis-set error correction based on density-functional theory for strongly correlated molecular systems

scientific article published on 01 May 2020

A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA

scientific article published on 01 February 2019

A general range-separated double-hybrid density-functional theory

scientific article published on 01 April 2018

A multiconfigurational hybrid density-functional theory.

scientific article published in July 2012

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

scientific article published in July 2017

About the collapse of the 3.3 microm CH stretching band with ionization in polycyclic aromatic hydrocarbons: configuration interaction and quantum Monte Carlo studies of the CH fragment

scientific article published on 01 August 2010

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

scientific article published on 3 March 2009

Alleviation of the Fermion-sign problem by optimization of many-body wave functions

scientific article published on 15 March 2007

Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method

scientific article published on 01 September 2020

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

scientific article published on 01 October 2013

Approaching chemical accuracy with quantum Monte Carlo

scientific article published on 01 March 2012

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.

scientific article published in May 2013

Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory

scientific article published on 01 September 2019

Basis convergence of range-separated density-functional theory. ⬇️

scientific article published in February 2015

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials

scientific article published on 01 February 2011

Blind test of density-functional-based methods on intermolecular interaction energies

scientific article published in September 2016

Calculating excitation energies by extrapolation along adiabatic connections ⬇️

Chemically accurate excitation energies with small basis sets

scientific article published on 01 October 2019

Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions

scientific article published on 01 August 2011

Combining density-functional theory and density-matrix-functional theory

scientific article published in November 2010

Communication: rationale for a new class of double-hybrid approximations in density-functional theory

scientific article published on 01 September 2011

Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach ⬇️

scientific article published on 22 September 2011

Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach

scientific article published on 01 November 2018

Double-hybrid density-functional theory applied to molecular crystals ⬇️

Double-hybrid density-functional theory made rigorous

scientific article published on 01 February 2011

Double-hybrid density-functional theory with meta-generalized-gradient approximations

scientific article published on 01 February 2014

Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)]

scientific article published on 01 June 2015

Excitation energies along a range-separated adiabatic connection ⬇️

scientific article published in July 2014

Excited states from range-separated density-functional perturbation theory

Foreword for special issue of Molecular Physics in honour of Andreas Savin

Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation

scientific article published on 01 November 2018

Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

scientific article published on 01 May 2008

Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra

scientific article published on 01 June 2019

Multiconfigurational short-range density-functional theory for open-shell systems

scientific article published on 7 June 2018

On the universality of the long-/short-range separation in multiconfigurational density-functional theory

scientific article published on 21 February 2007

Optimization of quantum Monte Carlo wave functions by energy minimization

scientific article

Quantum Monte Carlo with Jastrow-valence-bond wave functions

scientific article published on 01 February 2011

Range-separated double-hybrid density-functional theory applied to periodic systems

Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations

scientific article published on 01 August 2019

Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

scientific article published on 01 February 2019

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel. ⬇️

scientific article published in March 2016

Relativistic density-functional theory based on effective quantum electrodynamics

scientific article published on 18 May 2021

Relativistic short-range exchange energy functionals beyond the local-density approximation

scientific article published on 01 June 2020

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method ⬇️

scientific article published on 01 October 2016

Short-range exchange and correlation energy density functionals: beyond the local-density approximation

scientific article published on 01 January 2005

Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights. ⬇️

scientific article published on April 2015

Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling

scientific article published in 2022

Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density

scientific article published in June 2007

List of works by Julien Toulouse

A basis-set error correction based on density-functional theory for strongly correlated molecular systems

A formally exact one-frequency-only Bethe-Salpeter-like equation. Similarities and differences between GW+BSE and self-consistent RPA

A general range-separated double-hybrid density-functional theory

A multiconfigurational hybrid density-functional theory.

Ab initio lifetime correction to scattering states for time-dependent electronic-structure calculations with incomplete basis sets.

About the collapse of the 3.3 microm CH stretching band with ionization in polycyclic aromatic hydrocarbons: configuration interaction and quantum Monte Carlo studies of the CH fragment

Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation.

Alleviation of the Fermion-sign problem by optimization of many-body wave functions

Almost exact energies for the Gaussian-2 set with the semistochastic heat-bath configuration interaction method

Alternative separation of exchange and correlation energies in multi-configuration range-separated density-functional theory

Approaching chemical accuracy with quantum Monte Carlo

Assessment of range-separated time-dependent density-functional theory for calculating C6 dispersion coefficients.

Asymptotic behavior of the Hartree-exchange and correlation potentials in ensemble density functional theory

Basis convergence of range-separated density-functional theory. ⬇️

Basis set construction for molecular electronic structure theory: natural orbital and Gauss-Slater basis for smooth pseudopotentials

Blind test of density-functional-based methods on intermolecular interaction energies

Calculating excitation energies by extrapolation along adiabatic connections ⬇️

Chemically accurate excitation energies with small basis sets

Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions

Combining density-functional theory and density-matrix-functional theory

Communication: rationale for a new class of double-hybrid approximations in density-functional theory

Correlation Energy Expressions from the Adiabatic-Connection Fluctuation-Dissipation Theorem Approach ⬇️

Curing basis-set convergence of wave-function theory using density-functional theory: A systematically improvable approach

Double-hybrid density-functional theory applied to molecular crystals ⬇️

Double-hybrid density-functional theory made rigorous

Double-hybrid density-functional theory with meta-generalized-gradient approximations

Erratum: "Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights" [J. Chem. Phys. 142, 154123 (2015)]

Excitation energies along a range-separated adiabatic connection ⬇️

Excited states from range-separated density-functional perturbation theory

Foreword for special issue of Molecular Physics in honour of Andreas Savin

Four-component relativistic range-separated density-functional theory: Short-range exchange local-density approximation

Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules

Linear-response range-separated density-functional theory for atomic photoexcitation and photoionization spectra

Multiconfigurational short-range density-functional theory for open-shell systems

On the universality of the long-/short-range separation in multiconfigurational density-functional theory

Optimization of quantum Monte Carlo wave functions by energy minimization

Quantum Monte Carlo with Jastrow-valence-bond wave functions

Range-separated double-hybrid density-functional theory applied to periodic systems

Range-separated double-hybrid density-functional theory with coupled-cluster and random-phase approximations

Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density

Range-separated time-dependent density-functional theory with a frequency-dependent second-order Bethe-Salpeter correlation kernel. ⬇️

Relativistic density-functional theory based on effective quantum electrodynamics

Relativistic short-range exchange energy functionals beyond the local-density approximation

Self-consistent double-hybrid density-functional theory using the optimized-effective-potential method ⬇️

Short-range exchange and correlation energy density functionals: beyond the local-density approximation

Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights. ⬇️

Systematic lowering of the scaling of Monte Carlo calculations by partitioning and subsampling

Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density