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1

Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions

Umrigar, C. J., Toulouse, Julien, Filippi, Claudia, Sorella, S., Hennig, R. G.

Journal:

Physical Review Letters

Year:

2007

Language:

english

File:

PDF, 192 KB

english, 2007

2

Gaussian continuum basis functions for calculating high-harmonic generation spectra

Coccia, Emanuele, Mussard, Bastien, Labeye, Marie, Caillat, Jérémie, Taïeb, Richard, Toulouse, Julien, Luppi, Eleonora

Journal:

International Journal of Quantum Chemistry

Year:

2016

Language:

english

File:

PDF, 1.23 MB

english, 2016

3

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

Ángyán, János G., Liu, Ru-Fen, Toulouse, Julien, Jansen, Georg

Journal:

Journal of Chemical Theory and Computation

Year:

2011

Language:

english

File:

PDF, 3.35 MB

english, 2011

4

Double-hybrid density-functional theory made rigorous

Sharkas, Kamal, Toulouse, Julien, Savin, Andreas

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 511 KB

english, 2011

5

Double-hybrid density-functional theory applied to molecular crystals

Sharkas, Kamal, Toulouse, Julien, Maschio, Lorenzo, Civalleri, Bartolomeo

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 619 KB

english, 2014

6

Electronic excitations from a linear-response range-separated hybrid scheme

Rebolini, Elisa, Savin, Andreas, Toulouse, Julien

Journal:

Molecular Physics

Year:

2013

Language:

english

File:

PDF, 498 KB

english, 2013

7

Excited states from range-separated density-functional perturbation theory

Rebolini, Elisa, Toulouse, Julien, Teale, Andrew M., Helgaker, Trygve, Savin, Andreas

Journal:

Molecular Physics

Year:

2015

Language:

english

File:

PDF, 439 KB

english, 2015

8

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

Coccia, Emanuele, Assaraf, Roland, Luppi, Eleonora, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2017

Language:

english

File:

PDF, 645 KB

english, 2017

9

Excitation energies from Görling–Levy perturbation theory along the range-separated adiabatic connection

Rebolini, Elisa, Teale, Andrew M., Helgaker, Trygve, Savin, Andreas, Toulouse, Julien

Journal:

Molecular Physics

Year:

2018

Language:

english

File:

PDF, 935 KB

english, 2018

10

[Advances in Quantum Chemistry] Electron Correlation in Molecules – ab initio Beyond Gaussian Quantum Chemistry Volume 73 || Introduction to the Variational and Diffusion Monte Carlo Methods

Toulouse, Julien

Year:

2016

Language:

english

File:

PDF, 277 KB

english, 2016

11

On the optimal basis set for electron dynamics in strong laser fields: The case of molecular ion H 2+ .

Labeye, Marie, Zapata, Felipe, Coccia, Emanuele, Veniard, Valerie, Toulouse, Julien, Caillat, Jeremie, Taïeb, Richard, Luppi, Eleonora

Journal:

Journal of Chemical Theory and Computation

Year:

2018

Language:

english

File:

PDF, 1.40 MB

english, 2018

12

Self-consistent range-separated density-functional theory with second-order perturbative correction via the optimized-effective-potential method

Śmiga, Szymon, Grabowski, Ireneusz, Witkowski, Mateusz, Mussard, Bastien, Toulouse, Julien

Journal:

Journal of Chemical Theory and Computation

Year:

2019

File:

PDF, 707 KB

2019

13

Quantum Monte Carlo study of the cooperative binding of NO2 to fragment models of carbon nanotubes

John W. Lawson, Charles W. Bauschlicher Jr., Julien Toulouse, Claudia Filippi, C.J. Umrigar

Journal:

Chemical Physics Letters

Year:

2008

Language:

english

File:

PDF, 237 KB

english, 2008

14

Local density approximation for long-range or for short-range energy functionals?

Julien Toulouse, Andreas Savin

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

2006

Language:

english

File:

PDF, 121 KB

english, 2006

15

A new hybrid functional including a meta-GGA approach

Julien Toulouse, Carlo Adamo

Journal:

Chemical Physics Letters

Year:

2002

Language:

english

File:

PDF, 88 KB

english, 2002

16

Short-range exchange-correlation energy of a uniform electron gas with modified electron–electron interaction

Julien Toulouse, Andreas Savin, Heinz-Jürgen Flad

Journal:

International Journal of Quantum Chemistry

Year:

2004

Language:

english

File:

PDF, 191 KB

english, 2004

17

Scaling relations, virial theorem, and energy densities for long-range and short-range density functionals

Julien Toulouse, Paola Gori-Giorgi, Andreas Savin

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 137 KB

english, 2006

18

van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections

Ángyán, János, Gerber, Iann, Savin, Andreas, Toulouse, Julien

Journal:

Physical Review A

Year:

2005

Language:

english

File:

PDF, 215 KB

english, 2005

19

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

Fromager, Emmanuel, Toulouse, Julien, Jensen, Hans Jo̸rgen Aa.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 461 KB

english, 2007

20

A multiconfigurational hybrid density-functional theory

Sharkas, Kamal, Savin, Andreas, Jensen, Hans Jo̸rgen Aa., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 642 KB

english, 2012

21

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

Toulouse, Julien, Rebolini, Elisa, Gould, Tim, Dobson, John F., Seal, Prasenjit, Ángyán, János G.

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 545 KB

english, 2013

22

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

Petruzielo, F. R., Toulouse, Julien, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 938 KB

english, 2011

23

Long-range–short-range separation of the electron-electron interaction in density-functional theory

Toulouse, Julien, Colonna, François, Savin, Andreas

Journal:

Physical Review A

Year:

2004

Language:

english

File:

PDF, 194 KB

english, 2004

24

Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction

Toulouse, Julien

Journal:

Physical Review B

Year:

2005

Language:

english

File:

PDF, 197 KB

english, 2005

25

Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications

Toulouse, Julien, Zhu, Wuming, Ángyán, János G., Savin, Andreas

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 470 KB

english, 2010

26

Erratum: Alleviation of the Fermion-Sign Problem by Optimization of Many-Body Wave Functions [Phys. Rev. Lett. 98 , 110201 (2007)]

Umrigar, C. J., Toulouse, Julien, Filippi, Claudia, Sorella, S., Hennig, R. G.

Journal:

Physical Review Letters

Year:

2007

File:

PDF, 23 KB

2007

27

Validation and assessment of an accurate approach to the correlation problem in density functional theory: The Kriger–Chen–Iafrate–Savin model

Toulouse, Julien, Savin, Andreas, Adamo, Carlo

Journal:

The Journal of Chemical Physics

Year:

2002

Language:

english

File:

PDF, 340 KB

english, 2002

28

Excitation energies along a range-separated adiabatic connection

Rebolini, Elisa, Toulouse, Julien, Teale, Andrew M., Helgaker, Trygve, Savin, Andreas

Journal:

The Journal of Chemical Physics

Year:

2014

Language:

english

File:

PDF, 700 KB

english, 2014

29

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

Toulouse, Julien, Colonna, François, Savin, Andreas

Journal:

The Journal of Chemical Physics

Year:

2005

Language:

english

File:

PDF, 383 KB

english, 2005

30

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

Rohr, Daniel R., Toulouse, Julien, Pernal, Katarzyna

Journal:

Physical Review A

Year:

2010

Language:

english

File:

PDF, 300 KB

english, 2010

31

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

Toulouse, Julien, Sharkas, Kamal, Brémond, Eric, Adamo, Carlo

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 383 KB

english, 2011

32

Kohn-Sham potentials in exact density-functional theory at noninteger electron numbers

Gould, Tim, Toulouse, Julien

Journal:

Physical Review A

Year:

2014

Language:

english

File:

PDF, 298 KB

english, 2014

33

Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation

Toulouse, Julien, Gerber, Iann C., Jansen, Georg, Savin, Andreas, Ángyán, János G.

Journal:

Physical Review Letters

Year:

2009

Language:

english

File:

PDF, 166 KB

english, 2009

34

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

Stoyanova, Alexandrina, Teale, Andrew M., Toulouse, Julien, Helgaker, Trygve, Fromager, Emmanuel

Journal:

The Journal of Chemical Physics

Year:

2013

Language:

english

File:

PDF, 778 KB

english, 2013

35

Exchange–correlation potentials and local energies per particle along nonlinear adiabatic connections

Toulouse, Julien, Colonna, FranÇois, savin, Andreas

Journal:

Molecular Physics

Year:

2005

Language:

english

File:

PDF, 380 KB

english, 2005

36

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

Toulouse, Julien, Assaraf, Roland, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.10 MB

english, 2007

37

Optimization of quantum Monte Carlo wave functions by energy minimization

Toulouse, Julien, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2007

Language:

english

File:

PDF, 1.14 MB

english, 2007

38

Approaching chemical accuracy with quantum Monte Carlo

Petruzielo, F. R., Toulouse, Julien, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2012

Language:

english

File:

PDF, 588 KB

english, 2012

39

Calculating excitation energies by extrapolation along adiabatic connections

Rebolini, Elisa, Toulouse, Julien, Teale, Andrew M., Helgaker, Trygve, Savin, Andreas

Journal:

Physical Review A

Year:

2015

Language:

english

File:

PDF, 5.03 MB

english, 2015

40

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

Toulouse, Julien, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2008

Language:

english

File:

PDF, 437 KB

english, 2008

41

Excited states of methylene from quantum Monte Carlo

Zimmerman, Paul M., Toulouse, Julien, Zhang, Zhiyong, Musgrave, Charles B., Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2009

Language:

english

File:

PDF, 192 KB

english, 2009

42

Compact and flexible basis functions for quantum Monte Carlo calculations

Petruzielo, F. R., Toulouse, Julien, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 115 KB

english, 2010

43

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

Pauzat, Françoise, Pilmé, Julien, Toulouse, Julien, Ellinger, Yves

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 440 KB

english, 2010

44

Quantum Monte Carlo with Jastrow-valence-bond wave functions

Braïda, Benoı̂t, Toulouse, Julien, Caffarel, Michel, Umrigar, C. J.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 236 KB

english, 2011

45

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

Toulouse, Julien, Zhu, Wuming, Savin, Andreas, Jansen, Georg, Ángyán, János G.

Journal:

The Journal of Chemical Physics

Year:

2011

Language:

english

File:

PDF, 222 KB

english, 2011

46

Basis convergence of range-separated density-functional theory

Franck, Odile, Mussard, Bastien, Luppi, Eleonora, Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 603 KB

english, 2015

47

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

Mussard, Bastien, Reinhardt, Peter, Ángyán, János G., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 578 KB

english, 2015

48

Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions

Zhu, Wuming, Toulouse, Julien, Savin, Andreas, Ángyán, János G.

Journal:

The Journal of Chemical Physics

Year:

2010

Language:

english

File:

PDF, 643 KB

english, 2010

49

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

Mussard, Bastien, Reinhardt, Peter, Ángyán, János G., Toulouse, Julien

Journal:

The Journal of Chemical Physics

Year:

2015

Language:

english

File:

PDF, 559 KB

english, 2015

50

Principe de moindre difficulté et structures hiérarchiques

Gérard Toulouse and Julien Bok

Journal:

Revue Française de Sociologie

Year:

1978

Language:

english

File:

PDF, 569 KB

english, 1978

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