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@misc{BraTouCafUmr-JJJ-XX-note2,
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@misc{BraTouCafUmr-JJJ-XX-note3,
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	Keyword = {Chemistry and Materials Science},
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	Opturl = {http://dx.doi.org/10.1007/s00214-011-1084-8},
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@misc{exp_2nd_excited_state,
	Note = {Le r{\'e}sultat exp{\'e}rimental dans l'article de Alijah et Duxbury (1.411 eV) a {\'e}t{\'e} corrig{\'e} pour enlever l'{\'e}nergie de point z{\'e}ro en utilisant les calculs FCI/TZ2P de Sherrill et al. (0.004 eV).}}

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	Title = {Range-separated multideterminant density-functional theory with a short-range correlation functional of the on-top pair density},
	Volume = {150},
	Year = {2019},
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@incollection{FilGonUmr-INC-96,
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	Booktitle = {Recent Developments of Modern Density Functional Theory},
	Editor = {J. M. Seminario},
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	Publisher = {Elsevier},
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@misc{Fil-PRIV-XX,
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@misc{FilTouUmr-JJJ-XX,
	Author = {Claudia Filippi and Julien Toulouse and C. J. Umrigar},
	Title = {in preparation}}

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	Year = {1997}}

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	Year = {1996}}

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	Volume = {5},
	Year = {2015}}

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	Address = {Singapore},
	Author = {H.-J. Flad and M. Caffarel and A. Savin},
	Booktitle = {Recent advances in quantum Monte Carlo methods},
	Editor = {W. A. Lester},
	Pages = {73},
	Publisher = {World Scientific},
	Title = {Quantum Monte Carlo calculations with multi-reference trial wave functions},
	Year = {1997}}

@misc{Fla-PRIV-XX,
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	Title = {private communication}}

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	Year = {2005}}

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	Pages = {33},
	Title = {{Quantum Monte Carlo simulations of solids}},
	Volume = {{73}},
	Year = {2001}}

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	Pages = {3576},
	Volume = {107},
	Year = {1997}}

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	Volume = {8},
	Year = {2012}}

@misc{FraLupTou-JJJ-XX,
	Author = {O. Franck and E. Luppi and J. Toulouse},
	Note = {unpublished}}

@article{FraMusLupTou-JCP-15,
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	Pages = {074107},
	Title = {Basis convergence of range-separated density-functional theory},
	Volume = {142},
	Year = {2015}}

@misc{FraMusLupTou-JJJ-XX,
	Author = {O. Franck and B. Mussard and E. Luppi and J. Toulouse},
	Note = {Basis convergence of range-separated density-functional theory, arXiv:1412.2613, to appear in J. Chem. Phys.}}

@misc{FraMusLupTou-JJJ-XX-note1,
	Note = {Note that the partial-wave expansion of any {\it odd} power of $r_{12}$ contains an infinite number of terms. In contrast, the partial-wave expansion of any {\it even} power of $r_{12}$ terminates at a finite $\ell$.}}

@misc{FraMusLupTou-JJJ-XX-note2,
	Note = {For a discussion of angular and radial correlation and the shape of the correlation hole in the He atom with the long-range interaction, see Ref.~\onlinecite{PolColLeiStoWerSav-IJQC-03}.}}

@misc{FraMusLupTou-JJJ-XX-note3,
	Note = {For $\mu=1$ the difference between the long-range MP2 correlation energies for $X=5$ and $X=6$ is still as small as about 0.2 mhartree.}}

@misc{FraMusLupTou-JJJ-XX-note4,
	Note = {For $r_1=r_2$, $f\lr_\ell >0$ for $\ell=0$ and $f\lr_\ell <0$ for $\ell \geq 1$.}}

@article{FreHuxMor-PRA-84,
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@article{FreLev-JCP-82,
	Author = {Karl F. Freed and Mel Levy},
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	Keywords = {ALGORITHMS; ELECTRON DENSITY; FUNCTIONALS; SERIES EXPANSION; WAVE FUNCTIONS; GROUND STATES},
	Number = {1},
	Pages = {396-398},
	Publisher = {AIP},
	Title = {Direct first principles algorithm for the universal electron density functional},
	Url = {http://link.aip.org/link/?JCP/77/396/1},
	Volume = {77},
	Year = {1982},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/77/396/1}}

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@article{FroCimJen-PRA-10,
	Author = {E. Fromager and R. Cimiraglia and H. J. Aa. Jensen},
	Journal = {Phys. Rev. A},
	Pages = {024502},
	Volume = {81},
	Year = {2010}}

@article{Fro-JCP-11,
	Author = {E. Fromager},
	Journal = {J. Chem. Phys.},
	Pages = {244106},
	Volume = {135},
	Year = {2011}}

@article{FroJen-JCP-11,
	Author = {E. Fromager and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {034116},
	Volume = {135},
	Year = {2011}}

@article{FroJen-PRA-08,
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	Pages = {022504},
	Volume = {78},
	Year = {2008}}

@misc{FroKneJen-ARX-12,
	Author = {Emmanuel Fromager and Stefan Knecht and H. J. Aa. Jensen},
	Note = {\url{http://fr.arxiv.org/abs/1211.4829v1}}}

@article{FroKneJen-JCP-13,
	Author = {E. Fromager and S. Knecht and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {084101},
	Title = {{Multi-configuration time-dependent density-functional theory based on range separation}},
	Volume = {138},
	Year = {2013}}

@article{FroReaWahWahJen-JCP-09,
	Author = {E. Fromager and F. R\'eal and P. W{\aa}hlin and U. Wahlgren and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {054107},
	Volume = {131},
	Year = {2009}}

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	Author = {E. Fromager and J. Toulouse and H. J. Aa. Jensen},
	Journal = {J. Chem. Phys.},
	Pages = {074111},
	Title = {On the universality of the long-/short-range separation in multiconfigurational density-functional theory},
	Volume = {126},
	Year = {2007}}

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	Volume = {65},
	Year = {2002}}

@article{FucNiqGonBur-JCP-05,
	Abstract = {We show that density functional theory within the RPA (random phase
        approximation for the exchange-correlation energy) provides a correct
        description of bond dissociation in H2 in a spin-restricted Kohn-<96>Sham
        formalism, i.e., without artificial symmetry breaking. We present
        accurate adiabatic connection curves both at equilibrium and beyond
        the Coulson-Fisher point. The strong curvature at large bond length
        implies important static (left-<96>right) correlation, justifying modern
        hybrid functional constructions but also demonstrating their limitations.
        Although exact at infinite separation and accurate near the equilibrium
        bond length, the RPA dissociation curve displays unphysical repulsion
        at larger but finite bond lengths. Going beyond the RPA by including
        the exact exchange kernel (RPA + X), we find a similar repulsion.
        We argue that this deficiency is due to the absence of double excitations
        in adiabatic linear response theory. Further analyzing the H2 dissociation
        limit we show that the RPA + X is not size consistent, in contrast
        to the RPA.},
	Author = {Fuchs, M. and Niquet, Y. M. and Gonze, X. and Burke, K.},
	Doi = {10.1063/1.1858371},
	Journal = {J. Chem. Phys.},
	Pages = {094116},
	Title = {Describing static correlation in bond dissociation by Kohn-Sham density functional theory},
	Volume = {122},
	Year = {2005},
	Bdsk-Url-1 = {https://doi.org/10.1063/1.1858371}}

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	Pages = {A932},
	Volume = {135},
	Year = {1964}}

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	Address = {Berlin},
	Author = {P. Fulde},
	Publisher = {Springer},
	Title = {Electron Correlations in Molecules and Solids},
	Year = {1993}}

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	Author = {F. Furche},
	Journal = {J. Chem. Phys.},
	Pages = {5982},
	Volume = {114},
	Year = {2001}}

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	Author = {F. Furche},
	Journal = {J. Chem. Phys.},
	Pages = {114105},
	Volume = {129},
	Year = {2008}}

@article{FurPer-JCP-06,
	Author = {F. Furche and J. P. Perdew},
	Journal = {J. Chem. Phys.},
	Pages = {044103},
	Volume = {124},
	Year = {2006}}

@article{Fur-PRA-04,
	Author = {Filipp Furche},
	Eid = {022514},
	Journal = {Physical Review A (Atomic, Molecular, and Optical Physics)},
	Keywords = {density functional theory; HF calculations; boson systems; electron pairs; ground states; Schrodinger equation},
	Number = {2},
	Numpages = {10},
	Pages = {022514},
	Publisher = {APS},
	Title = {Towards a practical pair density-functional theory for many-electron systems},
	Url = {http://link.aps.org/abstract/PRA/v70/e022514},
	Volume = {70},
	Year = {2004},
	Bdsk-Url-1 = {http://link.aps.org/abstract/PRA/v70/e022514}}

@article{Fur-PRB-01,
	Author = {F. Furche},
	Journal = {Phys. Rev. B},
	Pages = {195120},
	Volume = {64},
	Year = {2001}}

@incollection{FurRap-INC-05,
	Address = {Amsterdam},
	Author = {F. Furche and D. Rappoport},
	Booktitle = {Computational Photochemistry},
	Editor = {M. Olivucci},
	Pages = {93-128},
	Publisher = {Elsevier},
	Series = {Theoretical and Computational Chemistry, Vol. 16},
	Title = {Density functional methods for excited states: equilibrium structure and electronic spectra},
	Year = {2005}}

@article{FurVoo-JCP-05,
	Author = {F. Furche and T. Van Voorhis},
	Journal = {J. Chem. Phys.},
	Pages = {164106},
	Title = {Fluctuation-dissipation theorem density-functional theory},
	Volume = {122},
	Year = {2005}}

@article{GagTruLiCarHoyBa-ACR-17,
	Author = {{L. Gagliardi, D. G. Truhlar, G. Li Manni, R. K. Carlson, C. E. Hoyer, and J. Lucas Bao}},
	Journal = {Acc. Chem. Res.},
	Pages = {66},
	Volume = {50},
	Year = {2017}}

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@misc{KalTou-JJJ-XX-note1,
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@misc{KalTou-JJJ-XX-note2,
	Note = {The term ``range-separated double hybrid (RSDH)'' has already been used in Ref.~\onlinecite{SanCivUsvTouShaMas-JCP-15} to designate the RSH+MP2 method and in Refs.~\onlinecite{CorStoJenFro-PRA-13,CorFro-IJQC-14} to generically designate several kinds of range-separated MP2/DFT hybrids. In the present work, we use RSDH to designate the specific scheme corresponding to Eq.~(\ref{EmulRSDH}).}}

@misc{KalTou-JJJ-XX-note3,
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@misc{lifetimes-note1,
	Note = {For $\ell=0$, $R_2(r)$ only diverges as $1/r$ at $r=0$ which is normalizable, i.e. $\int_0^\infty \text{d}r r^2 |R_2(r)|^2 < \infty$. However, even in this case, the expectation value of the Hamiltonian operator is infinite. For $\ell \geq 1$, $R_2(r)$ is not even normalizable.}}

@misc{lifetimes-note2,
	Note = {The general solution of the Schr\"odinger equation given in Eqs.~(\ref{solR})-(\ref{solR2}) is valid for $Z\not=0$. For $Z=0$, $R_1(r)$ in Eq.~(\ref{solR1}) becomes identically zero, and should be replaced by a function which has the same expression as $R_2(r)$ with the substitution $\sqrt{-2E} \to -\sqrt{-2E}$. The continuum scattering states are then obtained as a linear combination of these two functions. However, our analysis of complex-energy states remains unchanged. Thus, our procedure for determining the lifetimes is still valid for $Z=0$.}}

@misc{lifetimes-note3,
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@misc{LynZhaTru-JJJ-XX,
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@misc{Molpro-PROG-02,
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@misc{Molpro-PROG-10,
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@misc{Molproshort-PROG-02,
	Address = {Birmingham, UK},
	Title = {MOLPRO, a package of ab initio programs designed by {H.-J.~Werner} and {P.~J. Knowles}, version 2002.2},
	Year = {2002}}

@misc{Molproshort-PROG-08,
	Address = {Cardiff, UK},
	Author = {H.-J. Werner and P. J. Knowles and R. Lindh and F. R. Manby and M. {Sch\"{u}tz} and others},
	Note = {see www.molpro.net},
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@misc{Molproshort-PROG-10,
	Author = {{H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. {Sch\"{u}tz}, and others}},
	Note = {Cardiff, UK, 2010, see \url{http://www.molpro.net}},
	Title = {MOLPRO, version 2010.1, a package of ab initio programs}}

@misc{Molproshort-PROG-12,
	Author = {{H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. {Sch\"{u}tz}, and others}},
	Note = {Cardiff, UK, 2012, see \url{http://www.molpro.net}},
	Title = {MOLPRO, version 2012.1, a package of ab initio programs}}

@misc{Molproshort-PROG-15,
	Author = {{H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. {Sch\"{u}tz}, and others}},
	Note = {{Cardiff, UK, 2015, see \url{http://www.molpro.net}}},
	Title = {{MOLPRO, version 2015.1, a package of ab initio programs}}}

@misc{Molproshort-PROG-19,
	Author = {{H.-J. Werner, P. J. Knowles, G. Knizia, F. R. Manby, M. {Sch\"{u}tz}, and others}},
	Note = {{Cardiff, UK, 2019, see \url{http://www.molpro.net}}},
	Title = {{MOLPRO, version 2019.1, a package of ab initio programs}}}

@misc{Molproweb-PROG-XX,
	Note = {\url{http://www.molpro.net}},
	Title = {MOLPRO, a package of ab initio programs}}

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	Year = {2010}}

@article{PazMorGorBac-PRB-06,
	Author = {Simone Paziani and Saverio Moroni and Paola Gori-Giorgi and Giovanni B. Bachelet},
	Journal = {Phys. Rev. B},
	Pages = {155111},
	Volume = {73},
	Year = {2006}}

@article{PazMorGorBac-xxx-xx,
	Author = {S. Paziani and S. Moroni and P. Gori-Giorgi and G. B. Bachelet},
	Journal = {in preparation},
	Volume = {{}},
	Year = {2005}}

@article{PeaBenHelToz-JCP-08,
	Author = {M. J. Peach and P. Benfield and T. Helgaker and D. J. Tozer},
	Journal = {J. Chem. Phys.},
	Pages = {044118},
	Volume = {128},
	Year = {2008}}

@article{PeaCohToz-PCCP-06,
	Author = {M. J. G. Peach and A. J. Cohen and D. J. Tozer},
	Journal = {Phys. Chem. Chem. Phys.},
	Pages = {4543},
	Volume = {8},
	Year = {2006}}

@article{PeaHelSalKeaLutTozHan-PCCP-06,
	Author = {M. J. G. Peach and T. Helgaker and P. Salek and T. W. Keal and O. B. Lutn{\ae}s and D. J. Tozer and N. C. Handy},
	Journal = {Phys. Chem. Chem. Phys.},
	Pages = {558},
	Volume = {8},
	Year = {2006}}

@article{PeaTeaHelToz-JCTC-15,
	Author = {M. J. G. Peach and A. M. Teale and T. Helgaker and D. J. Tozer},
	Journal = {J. Chem. Theory Comput.},
	Pages = {5262},
	Volume = {11},
	Year = {2015}}

@article{PeaToz-JPCA-12,
	Author = {M. J. G. Peach and D. J. Tozer},
	Journal = {J. Phys. Chem. A},
	Pages = {9783},
	Volume = {116},
	Year = {2012}}

@misc{PedJen-JJJ-XX,
	Author = {J. K. Pedersen and H. J. A. Jensen},
	Note = {(unpublished)},
	Title = {{A second order MCSCF-DFT hybrid algorithm}}}

@misc{PedJen-JJJ-XX_fr,
	Author = {J. K. Pedersen and H. J. A. Jensen},
	Note = {non publi{\'e}}}

@phdthesis{Ped-THESIS-04,
	Address = {Odense},
	Author = {J. K. Pedersen},
	School = {University of Southern Denmark},
	Title = {Description of correlation and relativistic effects in calculations of molecular properties},
	Type = {{PhD thesis}},
	Year = {2004}}

@article{PeiNecWar-PRA-03,
	Author = {K. Peirs and D. Van Neck and M. Waroquier},
	Eid = {012505},
	Issue = {1},
	Journal = {Physical Review A (Atomic, Molecular, and Optical Physics)},
	Keywords = {density functional theory; atomic structure; Green's function methods; ab initio calculations},
	Numpages = {12},
	Page = {012505},
	Publisher = {APS},
	Title = {Algorithm to derive exact exchange-correlation potentials from correlated densities in atoms},
	Url = {http://link.aps.org/abstract/PRA/v67/e012505},
	Volume = {67},
	Year = {2003},
	Bdsk-Url-1 = {http://link.aps.org/abstract/PRA/v67/e012505}}

@article{PerBurErn-PRL-96,
	Author = {J. P. Perdew and K. Burke and M. Ernzerhof},
	Journal = {Phys. Rev. Lett.},
	Pages = {3865},
	Title = {Generalized Gradient Approximation Made Simple},
	Volume = {77},
	Year = {1996}}

@article{PerCheVosJacPedSinFio-PRB-92,
	Author = {J. P. Perdew and J. A. Chevary and S. H. Vosko and K. A. Jackson and M. R. Pederson and D. J. Singh and C. Fiolhais},
	Journal = {Phys. Rev. B},
	Pages = {6671},
	Volume = {{46}},
	Year = {1992}}

@book{PerEngDreGroGodNogCasMar-BOOK-03,
	Address = {Berlin},
	Editor = {C. Fiolhais and F. Nogueira and M. A. L. Marques},
	Publisher = {Springer},
	Series = {Vol. 620 of Lecture Notes in Physics},
	Title = {A Primer in Density Functional Theory},
	Year = {2003}}

@article{PerErnBur-JCP-96,
	Author = {J. P. Perdew and M. Ernzerhof and K. Burke},
	Journal = {J. Chem. Phys},
	Pages = {9982},
	Volume = {105},
	Year = {1996}}

@article{PerErnBurSav-IJQC-97,
	Author = {J. P. Perdew and M. Ernzerhof and K. Burke and A. Savin},
	Journal = {Int. J. Quantum Chem.},
	Pages = {197},
	Volume = {{61}},
	Year = {1997}}

@article{PerGieGriBae-JCP-07,
	Author = {K. Pernal and K. Giesbertz and O. Gritsenko and E. J. Baerends},
	Journal = {J. Chem. Phys.},
	Pages = {214101},
	Volume = {127},
	Year = {2007}}

@article{PerGriBae-PRA-07,
	Author = {K. Pernal and O. Gritsenko and E. J. Baerends},
	Journal = {Phys. Rev. A},
	Pages = {012506},
	Volume = {75},
	Year = {2007}}

@article{PerGriMee-JCP-19,
	Author = {{K. Pernal, O. V. Gritsenko, and R. van Meer}},
	Journal = {J. Chem. Phys.},
	Pages = {164122},
	Volume = {151},
	Year = {2019}}

@article{Per-IJQC-93,
	Author = {J. P. Perdew},
	Journal = {Int. J. Quantum. Chem.: Quantum Chem. Symp.},
	Pages = {93},
	Volume = {27},
	Year = {1993}}

@incollection{Per-INC-91,
	Address = {berlin},
	Author = {J. P. Perdew},
	Booktitle = {Electronic Structure of Solids '91},
	Editor = {P. Ziesche and H. Eschrig},
	Publisher = {Akademie Verlag},
	Year = {1991}}

@article{Per-JCP-12,
	Author = {K. Pernal},
	Journal = {J. Chem. Phys.},
	Pages = {184105},
	Title = {{Excitation energies from range-separated time-dependent density and density matrix functional theory}},
	Volume = {136},
	Year = {2012}}

@article{PerLanSah-PRL-77,
	Author = {J. P. Perdew and D. C. Langreth and V. Sahni},
	Journal = {Phys. Rev. Lett.},
	Pages = {1030},
	Volume = {{38}},
	Year = {1977}}

@article{PerLev-PRL-83,
	Author = {J. P. Perdew and M. Levy},
	Journal = {Phys. Rev. Lett.},
	Pages = {1884},
	Volume = {51},
	Year = {1983}}

@article{PerMcMZun-PRA-81,
	Author = {J. P. Perdew and E. R. McMullen and A. Zunger},
	Journal = {Phys. Rev. A},
	Pages = {2785},
	Volume = {{23}},
	Year = {1981}}

@article{PerParLevBal-PRL-82,
	Author = {J. P. Perdew and R. G. Parr and M. Levy and J. L. Balduz},
	Journal = {Phys. Rev. Lett.},
	Pages = {1691},
	Title = {Density-functional theory for fractional particle number: Derivative discontinuity of the energy},
	Volume = {49},
	Year = {1982}}

@article{PerPerMorIll-JCC-07,
	Author = {A. J. P\'erez-Jim\'enez and J. M. P\'erez-Jord\'a and I. De P. R. Moreira and F. Illas},
	Journal = {J. Comput. Chem.},
	Pages = {2559},
	Volume = {28},
	Year = {2007}}

@article{PerPerSan-JCP-07,
	Author = {A. J. P\'erez-Jim\'enez and J. M. P\'erez-Jord\'a and J. C. Sancho-Garc\'ia},
	Journal = {J. Chem. Phys.},
	Pages = {104102},
	Title = {Combining two-body density correlation functionals with multiconfigurational wave functions using natural orbitals and occupation numbers},
	Volume = {127},
	Year = {2007}}

@article{Per-PRA-10,
	Author = {Katarzyna Pernal},
	Journal = {Phys. Rev. A},
	Pages = {052511},
	Volume = {81},
	Year = {2010}}

@article{Per-PRB-86,
	Author = {J. P. Perdew},
	Journal = {Phys. Rev. B},
	Pages = {8822},
	Volume = {{33}},
	Year = {1986}}

@article{Per-PRL-85,
	Author = {J. P. Perdew},
	Journal = {Phys. Rev. Lett.},
	Pages = {1665},
	Volume = {{55}},
	Year = {1985}}

@article{PerSavBur-PRA-95,
	Author = {J. P. Perdew and A. Savin and K. Burke},
	Journal = {Phys. Rev. A},
	Pages = {4531},
	Title = {{Escaping the symmetry dilemma through a pair-density interpretation of spin-density functional theory}},
	Volume = {51},
	Year = {1995}}

@article{PerSunRuzMezCso-PPCE-16,
	Author = {J. P. Perdew and J. Sun and A. Ruzsinszky and P. D. Mezei and G. I. Csonka},
	Journal = {Period. Polytech. Chem. Eng.},
	Pages = {2},
	Volume = {60},
	Year = {2016}}

@article{PerWan2-PRB-92,
	Author = {J. P. Perdew and Y. Wang},
	Journal = {Phys. Rev. B},
	Pages = {12947},
	Volume = {{46}},
	Year = {1992}}

@article{PerWan-PRB-86,
	Author = {J. P. Perdew and Y. Wang},
	Journal = {Phys. Rev. B},
	Pages = {8800},
	Volume = {{33}},
	Year = {1986}}

@article{PerWan-PRB-92,
	Author = {J. P. Perdew and Y. Wang},
	Journal = {Phys. Rev. B},
	Pages = {13244},
	Volume = {45},
	Year = {1992}}

@article{PerZun-PRB-81,
	Author = {J. P. Perdew and A. Zunger},
	Journal = {Phys. Rev. B},
	Pages = {5048},
	Volume = {23},
	Year = {1981}}

@article{PetDun-JCP-02,
	Author = {{K. A. Peterson and T. H. Dunning, Jr}},
	Journal = {J. Chem. Phys.},
	Pages = {10548},
	Volume = {117},
	Year = {2002}}

@article{PetDun-JPC-95,
	Author = {{K. A. Peterson and T. H. Dunning Jr.}},
	Journal = {J. Phys. Chem.},
	Pages = {3898},
	Volume = {99},
	Year = {1995}}

@article{PetGosGro-PRL-96,
	Author = {M. Petersilka and U. J. Gossmann and E. K. U. Gross},
	Journal = {Phys. Rev. Lett.},
	Pages = {1212},
	Volume = {76},
	Year = {1996}}

@article{PetGro-IJQC-96,
	Author = {M. Petersilka and E. K. U. Gross},
	Journal = {Int. J. Quantum Chem. Symp.},
	Pages = {1393},
	Volume = {30},
	Year = {1996}}

@article{PetHolChaNigUmr-PRL-12,
	Author = {F. R. Petruzielo and A. A. Holmes and H. J. Changlani and M. P. Nightingale and C. J. Umrigar},
	Journal = {Phys. Rev. Lett.},
	Pages = {230201},
	Title = {Semistochastic Projector Monte Carlo Method},
	Volume = {109},
	Year = {2012}}

@article{PetKenDun-JCP-93b,
	Author = {{K. A. Peterson, R. A. Kendall and T. H. Dunning Jr.}},
	Journal = {J. Chem. Phys.},
	Pages = {9790},
	Volume = {99},
	Year = {1993}}

@article{PetTouUmr-JCP-11,
	Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {064104},
	Title = {Basis set construction for molecular electronic structure theory: Natural orbital and Gauss--Slater basis for smooth pseudopotentials},
	Volume = {134},
	Year = {2011}}

@article{PetTouUmr-JCP-12,
	Author = {F. R. Petruzielo and J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {124116},
	Title = {{Approaching chemical accuracy with quantum Monte Carlo}},
	Volume = {136},
	Year = {2012}}

@article{PevHea-JCP-13,
	Author = {Roberto Peverati and Martin Head-Gordon},
	Journal = {J. Chem. Phys.},
	Pages = {024110},
	Title = {Orbital optimized double-hybrid density functionals},
	Volume = {139},
	Year = {2013}}

@article{PevTru-JPCL-11,
	Author = {Roberto Peverati and Donald G. Truhlar},
	Journal = {J. Phys. Chem. Lett.},
	Pages = {2810},
	Volume = {2},
	Year = {2011}}

@article{PevTru-JPCL-12,
	Author = {Roberto Peverati and Donald G. Truhlar},
	Journal = {J. Phys. Chem. Lett.},
	Pages = {117},
	Volume = {3},
	Year = {2012}}

@article{PevTru-PTRSA-14,
	Abstract = {Kohn{\textendash}Sham density functional theory is in principle an exact formulation of quantum mechanical electronic structure theory, but in practice we have to rely on approximate exchange{\textendash}correlation (xc) functionals. The objective of our work has been to design an xc functional with broad accuracy across as wide an expanse of chemistry and physics as possible, leading{\textemdash}as a long-range goal{\textemdash}to a functional with good accuracy for all problems, i.e. a universal functional. To guide our path towards that goal and to measure our progress, we have developed{\textemdash}building on earlier work of our group{\textemdash}a set of databases of reference data for a variety of energetic and structural properties in chemistry and physics. These databases include energies of molecular processes, such as atomization, complexation, proton addition and ionization; they also include molecular geometries and solid-state lattice constants, chemical reaction barrier heights, and cohesive energies and band gaps of solids. For this paper, we gather many of these databases into four comprehensive databases, two with 384 energetic data for chemistry and solid-state physics and another two with 68 structural data for chemistry and solid-state physics, and we test two wave function methods and 77 density functionals (12 Minnesota meta functionals and 65 others) in a consistent way across this same broad set of data. We especially highlight the Minnesota density functionals, but the results have broader implications in that one may see the successes and failures of many kinds of density functionals when they are all applied to the same data. Therefore, the results provide a status report on the quest for a universal functional.},
	Author = {Peverati, Roberto and Truhlar, Donald G.},
	Doi = {10.1098/rsta.2012.0476},
	Isbn = {1471-2962},
	Issn = {1364-503X},
	Journal = {Phil. Trans. R. Soc. A},
	Note = {preprint at http://arxiv.org/abs/1212.0944},
	Number = {2011},
	Pages = {20120476},
	Publisher = {The Royal Society},
	Title = {Quest for a universal density functional: the accuracy of density functionals across a broad spectrum of databases in chemistry and physics},
	Volume = {372},
	Year = {2014},
	Bdsk-Url-1 = {https://doi.org/10.1098/rsta.2012.0476}}

@article{PhiKanZgi-JCP-15,
	Author = {J. J. Phillips and A. A. Kananenka and D. Zgid},
	Journal = {J. Chem. Phys.},
	Pages = {194108},
	Volume = {142},
	Year = {2015}}

@article{PicGos-MP-73,
	Author = {B. T. Pickup and O. Goscinski},
	Journal = {Mol. Phys.},
	Pages = {1013},
	Volume = {26},
	Year = {1973}}

@book{PinNoz-BOOK-89,
	Author = {D. Pines and P. Nozi\`eres},
	Publisher = {Addison-Wesley Publishing Company},
	Title = {The Theory of Quantum Liquids},
	Year = {1989}}

@article{PisDov-IJQC-80,
	Author = {C. Pisani and R. Dovesi},
	Journal = {Int. J. Quantum Chem.},
	Pages = {501},
	Volume = {17},
	Year = {1980}}

@article{PisMasCasHalSchUsv-JCC-08,
	Author = {C. Pisani and L. Maschio and S. Casassa and M. Halo and M. Sch\"utz and D. Usvyat},
	Journal = {J. Comput. Chem.},
	Pages = {2113},
	Volume = {29},
	Year = {2008}}

@article{pittner:10275,
	Author = {Jiri Pittner and Petr Nachtigall and Petr Carsky and Jozef Masik and Ivan Hubac},
	Journal = {The Journal of Chemical Physics},
	Keywords = {organic compounds; silicon compounds; coupled cluster calculations; configuration interactions},
	Number = {21},
	Pages = {10275-10282},
	Publisher = {AIP},
	Title = {Assessment of the single-root multireference Brillouin--Wigner coupled- cluster method: Test calculations on CH[sub 2], SiH[sub 2], and twisted ethylene},
	Url = {http://link.aip.org/link/?JCP/110/10275/1},
	Volume = {110},
	Year = {1999},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/110/10275/1}}

@article{PolColLeiStoWerSav-IJQC-03,
	Author = {R. Pollet and F. Colonna and T. Leininger and H. Stoll and H.-J. Werner and A. Savin},
	Journal = {Int. J. Quantum. Chem.},
	Pages = {84},
	Title = {Exchange-Correlation Energies and Correlation Holes for Some Two- and Four-Electron Atoms along a Nonlinear Adiabatic Connection in Density Functional Theory},
	Volume = {{91}},
	Year = {2003}}

@article{PolSavLeiSto-JCP-02,
	Author = {R. Pollet and A. Savin and T. Leininger and H. Stoll},
	Journal = {J. Chem. Phys.},
	Pages = {1250},
	Title = {Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules},
	Volume = {{116}},
	Year = {2002}}

@phdthesis{Pol-THESIS-01,
	Author = {R. Pollet},
	School = {Universit\'e Paris 6},
	Title = {D\'eveloppement et applications d'une m\'ethode g\'en\'eralisant la th\'eorie de la fonctionnelle de la densit\'e \`a plusieurs d\'eterminants de Slater},
	Type = {Th\`ese de doctorat},
	Year = {2001}}

@article{Pop-RMP-99,
	Author = {J. A. Pople},
	Journal = {Rev. Mod. Phys.},
	Pages = {1267},
	Title = {{Nobel Lecture: Quantum chemical models}},
	Volume = {{71}},
	Year = {1999}}

@article{PorDer-PRA-02,
	Author = {S. G. Porsev and A. Derevianko},
	Journal = {Phys. Rev. A},
	Pages = {020701(R)},
	Volume = {65},
	Year = {2002}}

@article{PraWooPetDunWil-TCA-11,
	Author = {{B. P. Prascher, D. E. Woon, K. A. Peterson, T. H. Dunning, Jr., and A. K. Wilson}},
	Journal = {Theor. Chem. Acc.},
	Pages = {69},
	Volume = {128},
	Year = {2011}}

@article{PreBevFah-PRB-02,
	Author = {David Prendergast and David Bevan and Stephen Fahy},
	Journal = {Phys. Rev. B},
	Pages = {155104},
	Volume = {66},
	Year = {2002}}

@article{PreNolFilFahGre-JCP-01,
	Author = {D. Prendergast and M. Nolan and C. Filippi and S. Fahy and J. C. Greer},
	Journal = {J. Chem. Phys.},
	Pages = {1626},
	Volume = {{115}},
	Year = {2001}}

@book{PreTeuVetFla-BOOK-92,
	Address = {Cambridge},
	Author = {W. Press and S. Teukolsky and W. Vetterling and B. Flannery},
	Publisher = {Cambridge University Press},
	Title = {Numerical Recipes},
	Year = {1992}}

@article{Pul-MP-69,
	Author = {P. Pulay},
	Journal = {Mol. Phys.},
	Pages = {197},
	Volume = {17},
	Year = {1969}}

@article{PurZhaKra-JCP-09,
	Author = {W. Purwanto and S. Zhang and H. Krakauer},
	Journal = {J. Chem. Phys.},
	Pages = {094107},
	Volume = {130},
	Year = {2009}}

@misc{Qmc-PROG-XX,
	Note = {QMCMOL, a quantum Monte Carlo program written by R. Assaraf, F. Colonna, X. Krokidis, P. Reinhardt and coworkers.},
	Url = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/},
	Bdsk-Url-1 = {http://www.lct.jussieu.fr/pagesequipe/qmcmol/qmcmol/}}

@misc{Quantumexpressoweb-PROG-XX,
	Note = {\url{http://www.quantum-espresso.org}},
	Title = {QUANTUM ESPRESSO, an integrated suite of Open-Source computer codes for electronic-structure calculations and materials modeling at the nanoscale}}

@article{RabBaeNeu-PRB-15,
	Author = {E. Rabani and R. Baer and D. Neuhauser},
	Journal = {Phys. Rev. B},
	Pages = {235302},
	Volume = {91},
	Year = {2015}}

@article{rabinovitch:1807,
	Author = {B. S. Rabinovitch and John E. Douglas and F. S. Looney},
	Journal = {The Journal of Chemical Physics},
	Number = {11},
	Pages = {1807-1808},
	Publisher = {AIP},
	Title = {The Thermal Trans-Cis Isomerization of Dideuteroethylene},
	Url = {http://link.aip.org/link/?JCP/20/1807/2},
	Volume = {20},
	Year = {1952},
	Bdsk-Url-1 = {http://link.aip.org/link/?JCP/20/1807/2}}

@book{Rai-BOOK-72,
	Address = {Amsterdam-London},
	Author = {S. Raimes},
	Publisher = {North-Holland Publishing Company},
	Title = {Many-electron theory},
	Year = {1972}}

@article{Raj-ACP-80,
	Author = {A. K. Rajagopal},
	Journal = {Adv. Chem. Phys.},
	Pages = {59},
	Volume = {41},
	Year = {1980}}

@article{RajCal-PRB-73,
	Author = {A. K. Rajagopal and J. Callaway},
	Journal = {Phys. Rev. B},
	Pages = {1912},
	Volume = {7},
	Year = {1973}}

@article{Raj-JPC-78,
	Author = {A. K. Rajagopal},
	Journal = {J. Phys. C},
	Pages = {L943},
	Volume = {11},
	Year = {1978}}

@article{RamLeoNeu-ARPC-16,
	Author = {Krupa Ramasesha and Stephen R. Leone and Daniel M. Neumark},
	Journal = {Annu. Rev. Phys. Chem.},
	Pages = {41},
	Title = {Real-Time Probing of Electron Dynamics Using Attosecond Time-Resolved Spectroscopy},
	Volume = {67},
	Year = {2016}}

@article{RamRaj-PRA-82,
	Author = {M. V. Ramana and A. K. Rajagopal},
	Journal = {Phys. Rev. A},
	Pages = {96},
	Year = {1982}}

@article{RasChi-JCP-96a,
	Author = {V. A. Rassolov and D. M. Chipman},
	Journal = {J. Chem. Phys.},
	Pages = {1470},
	Volume = {105},
	Year = {1996}}

@article{RasChi-JCP-96b,
	Author = {V. A. Rassolov and D. M. Chipman},
	Journal = {J. Chem. Phys.},
	Pages = {1479},
	Volume = {105},
	Year = {1996}}

@article{Rau-JAA-96,
	Author = {A. R. P. Rau},
	Journal = {J. Astrophys. Astr.},
	Pages = {113},
	Volume = {17},
	Year = {1996}}

@misc{RebSavTou-JJJ-XX,
	Author = {E. Rebolini and A. Savin and J. Toulouse},
	Note = {unpublished}}

@article{RebSavTou-MP-13,
	Author = {E. Rebolini and A. Savin and J. Toulouse},
	Journal = {Mol. Phys.},
	Pages = {1219},
	Title = {Electronic excitations from a linear-response range-separated hybrid scheme},
	Volume = {111},
	Year = {2013}}

@article{RebTeaHelSavTou-MP-18,
	Author = {E. Rebolini and A. M. Teale and T. Helgaker and A. Savin and J. Toulouse},
	Doi = {doi.org/10.1080/00268976.2017.1422811},
	Journal = {Mol. Phys.},
	Pages = {1443-1451},
	Title = {Excitation energies from G\"orling--Levy perturbation theory along the range-separated adiabatic connection},
	Volume = {116},
	Year = {2018},
	Bdsk-Url-1 = {https://doi.org/10.1080/00268976.2017.1422811}}

@phdthesis{Reb-THESIS-14,
	Author = {E. Rebolini},
	School = {Universit\'e Pierre et Marie Curie},
	Title = {Range-separated density-functional theory for molecular excitation energies},
	Type = {{Th\`ese de doctorat}},
	Url = {https://tel.archives-ouvertes.fr/tel-01027522},
	Year = {2014},
	Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}

@phdthesis{Reb-THESIS-14_eng,
	Author = {E. Rebolini},
	School = {Universit\'e Pierre et Marie Curie},
	Title = {Range-separated density-functional theory for molecular excitation energies},
	Type = {{PhD thesis}},
	Url = {https://tel.archives-ouvertes.fr/tel-01027522},
	Year = {2014},
	Bdsk-Url-1 = {https://tel.archives-ouvertes.fr/tel-01027522}}

@article{RebTou-JCP-16,
	Author = {E. Rebolini and J. Toulouse},
	Doi = {http://dx.doi.org/10.1063/1.4943003},
	Journal = {J. Chem. Phys.},
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	Author = {J. Toulouse and R. Assaraf and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {244112},
	Title = {{Zero-variance zero-bias quantum Monte Carlo estimators of the spherically and system-averaged pair density}},
	Volume = {126},
	Year = {2007}}

@incollection{TouCafReiHogUmr-INC-12,
	Address = {Dordrecht Heidelberg London New York},
	Author = {J. Toulouse and M. Caffarel and P. Reinhardt and P. E. Hoggan and C. J. Umrigar},
	Booktitle = {Advances in the Theory of Quantum Systems in Chemistry and Physics},
	Editor = {P. E. Hoggan and J. Maruani and P. Piecuch and G. Delgado-Barrio and E. J. Br\"andas},
	Pages = {345-353},
	Publisher = {Springer},
	Series = {Progress in Theoretical Chemistry and Physics Vol. 22},
	Title = {Quantum Monte Carlo calculations of electronic excitation energies: The case of the singlet $n\to\pi^*$ (CO) transition in acrolein},
	Year = {2012}}

@article{TouColSav-JCP-05,
	Author = {J. Toulouse and F. Colonna and A. Savin},
	Journal = {J. Chem. Phys.},
	Pages = {014110},
	Title = {Short-range exchange and correlation energy density functionals: Beyond the local-density approximation},
	Volume = {122},
	Year = {2005}}

@misc{TouColSav-JJJ-XXa,
	Author = {J. Toulouse and F. Colonna and A. Savin},
	Title = {in preparation}}

@article{TouColSav-MP-05,
	Author = {Julien Toulouse and Francois Colonna and Andreas Savin},
	Journal = {Mol. Phys.},
	Pages = {2725},
	Title = {Exchange-correlation potentials and local energies per particle along non-linear adiabatic connections},
	Volume = {103},
	Year = {2005}}

@article{TouColSav-PRA-04,
	Author = {J. Toulouse and F. Colonna and A. Savin},
	Journal = {Phys. Rev. A},
	Keywords = {density functional theory; wave functions; exchange interactions (electron); electron correlations},
	Number = {6},
	Pages = {062505},
	Publisher = {APS},
	Title = {Long-range--short-range separation of the electron-electron interaction in density-functional theory},
	Volume = {70},
	Year = {2004}}

@misc{TouGerJanSavAng-JJJ-XX-note,
	Note = {For Ne$_{2}$ at equilibrium distance with aug-cc-pVQZ basis, the counterpoise correction on the interaction energy is 16 $\mu$H for RSH+RPAx and 62 $\mu$H for standard MP2.}}

@article{TouGerJanSavAng-PRL-09,
	Author = {J. Toulouse and I. C. Gerber and G. Jansen and A. Savin and J. G. \'Angy\'an},
	Journal = {Phys. Rev. Lett.},
	Pages = {096404},
	Title = {Adiabatic-connection fluctuation-dissipation density-functional theory based on range separation},
	Volume = {102},
	Year = {2009}}

@article{TouGorSav-IJQC-06,
	Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
	Journal = {Int. J. Quantum Chem.},
	Pages = {2026},
	Title = {Scaling relations, virial theorem and energy densities for long-range and short-range density functionals},
	Volume = {106},
	Year = {2006}}

@article{TouGorSav-TCA-05,
	Author = {J. Toulouse and P. Gori-Giorgi and A. Savin},
	Journal = {Theor. Chem. Acc.},
	Pages = {305},
	Volume = {114},
	Year = {2005}}

@misc{Tou-JJJ-XX,
	Author = {S. Dubillard and E. Eliav and L. Visscher and R. Bast and T. Saue},
	Note = {unpublished}}

@article{Tou-PRB-05,
	Author = {Julien Toulouse},
	Journal = {Phys. Rev. B},
	Pages = {035117},
	Title = {Simple model of the static exchange-correlation kernel of a uniform electron gas with long-range electron-electron interaction},
	Volume = {72},
	Year = {2005}}

@article{TouRebGouDobSeaAng-JCP-13,
	Author = {Julien Toulouse and Elisa Rebolini and Tim Gould and John F. Dobson and Prasenjit Seal and J\'anos G. \'Angy\'an},
	Journal = {J. Chem. Phys.},
	Pages = {194106},
	Title = {Assessment of range-separated time-dependent density-functional theory for calculating $C_6$ dispersion coefficients},
	Volume = {138},
	Year = {2013}}

@article{TouSavFla-IJQC-04,
	Author = {J. Toulouse and A. Savin and H.-J. Flad},
	Journal = {Int. J. Quantum Chem.},
	Pages = {1047},
	Title = {Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction},
	Volume = {100},
	Year = {2004}}

@misc{TouSav-JJJ-XX,
	Author = {J. Toulouse and A. Savin},
	Title = {in preparation}}

@article{TouSav-JMS-06,
	Author = {Julien Toulouse and Andreas Savin},
	Journal = {J. Mol. Struct. (Theochem)},
	Pages = {147},
	Title = {Local density approximation for long-range or for short-range energy functionals?},
	Volume = {762},
	Year = {2006}}

@article{TouShaBreAda-JCP-11,
	Author = {J. Toulouse and K. Sharkas and E. Br\'emond and C. Adamo},
	Journal = {J. Chem. Phys.},
	Pages = {101102},
	Title = {Rationale for a new class of double-hybrid approximations in density-functional theory},
	Volume = {135},
	Year = {2011}}

@phdthesis{Tou-THESIS-05,
	Author = {J. Toulouse},
	Note = {tel.archives-ouvertes.fr/tel-00550772},
	School = {Universit\'e Pierre et Marie Curie (Paris 6)},
	Year = {2005}}

@article{TouUmr-JCP-07,
	Author = {J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {084102},
	Title = {{Optimization of quantum Monte Carlo wave functions by energy minimization}},
	Volume = {126},
	Year = {2007}}

@article{TouUmr-JCP-08,
	Author = {J. Toulouse and C. J. Umrigar},
	Journal = {J. Chem. Phys.},
	Pages = {174101},
	Title = {{Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules}},
	Volume = {128},
	Year = {2008}}

@misc{TouUmr-JJJ-XX,
	Author = {J. Toulouse and C. J. Umrigar},
	Note = {unpublished}}

@misc{TouZhuAngSav-JJJ-XX-note2,
	Note = {In the context of density-functional theory RPA is usually derived from the Kohn-Sham reference, while in the context of many-body perturbation theory (see appendices) RPA is usually derived from the HF reference. Therefore, both PBE+RPA and HF+RPA are theoretically justified.}}

@misc{TouZhuAngSav-JJJ-XX-note3,
	Note = {The inverse of a 4-point function $\chi (1,2;1',2')$ is defined according to $\int d1'd2' \chi (1,2;1',2') \chi^{-1} (2',1';4,3) = \delta(1,3) \delta (2,4)$.}}

@misc{TouZhuAngSav-JJJ-XX-note,
	Note = {The short-range self-energy correction $\Delta \Sigma^\sr_\l$ is wrongly missing in Eq.~(11) of Ref.~\onlinecite{TouGerJanSavAng-PRL-09}. However, in practice, this term vanishes in the RPA or RPAx approximation so that the results of Ref.~\onlinecite{TouGerJanSavAng-PRL-09} are correct.}}

@article{TouZhuAngSav-PRA-10,
	Author = {Julien Toulouse and Wuming Zhu and J\'anos G. \'Angy\'an and Andreas Savin},
	Journal = {Phys. Rev. A},
	Pages = {032502},
	Title = {Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications},
	Volume = {82},
	Year = {2010}}

@article{TouZhuSavJanAng-JCP-11,
	Author = {J. Toulouse and W. Zhu and A. Savin and G. Jansen and J. G. \'Angy\'an},
	Journal = {J. Chem. Phys.},
	Pages = {084119},
	Title = {Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions},
	Volume = {135},
	Year = {2011}}

@misc{TouZhuSavJanAng-JJJ-XX,
	Author = {J. Toulouse and W. Zhu and A. Savin and G. Jansen and J. G. \'Angyan},
	Note = {unpublished}}

@misc{TouZhuSavJanAng-JJJ-XX-note,
	Note = {In Ref.~\onlinecite{Hes-JCP-11}, AC-RPA, NRPA1, NRPA3, and NRPA4 refer to what we call here RPAx-I, RPAx-II, RPA-SO2, and RPA-SO1, respectively. In addition, NRPA2 corresponds to the variant of Fukuda {\it et al.}, i.e. $2E_{c,\RPAxII}-E_{c,\text{MP2}}$.}}

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@misc{UmrFil-PRL-05-note,
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	Address = {Dordrecht},
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	Editor = {Dobson, John F. and Vignale, Giovanni and Das, Mukunda P.},
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	Publisher = {Springer US},
	Title = {Are Unoccupied Kohn-Sham Eigenvalues Related to Excitation Energies?},
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	Bdsk-Url-1 = {https://doi.org/10.1007/978-1-4899-0316-7_12}}

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@misc{Umr-UNP-XX,
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@misc{Umr-UNP-XX_fr,
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@misc{ZapLupTou-JJJ-XX-note,
	Note = {Contrary to our Fig. \ref{Hespectra}a, the TDLDA spectrum of the He atom shown in Fig. 6 of Ref.~\onlinecite{WasMaiBur-PRL-03} has a larger maximum than the LDA spectrum. This discrepancy is due to the fact that the TDLDA spectrum shown in Ref.~\onlinecite{WasMaiBur-PRL-03} comes in fact from Ref.~\onlinecite{SteDecGor-JCP-01} where it was calculated by replacing the LDA 1s orbital energy by the opposite of the exact ionization energy. We have checked that this results not only in an energy shift of the spectrum but also to larger oscillator strengths. The true TDLDA spectrum of the He atom is thus the one shown in the present Fig. \ref{Hespectra}a.}}

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	Note = {unpublished}}

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