updated manuscript

Manuscript/G2-srDFT.bib

@@ -3824,11 +3824,20 @@
 	Year = {1977}}
 
 @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}}
+  title = {Merging multireference perturbation and density-functional theories by means of range separation: Potential curves for ${\mathrm{Be}}_{2}$, ${\mathrm{Mg}}_{2}$, and ${\mathrm{Ca}}_{2}$},
+  author = {Fromager, Emmanuel and Cimiraglia, Renzo and Jensen, Hans J\o{}rgen Aa.},
+  journal = {Phys. Rev. A},
+  volume = {81},
+  issue = {2},
+  pages = {024502},
+  numpages = {4},
+  year = {2010},
+  month = {Feb},
+  publisher = {American Physical Society},
+  doi = {10.1103/PhysRevA.81.024502},
+  url = {https://link.aps.org/doi/10.1103/PhysRevA.81.024502}
+}
+
 
 @article{Fro-JCP-11,
 	Author = {E. Fromager},
@@ -5189,6 +5198,7 @@
 
 @article{HedKneKieJenRei-JCP-15,
 	Author = {E. D. Hedeg{\aa}rd and S. Knecht and J. S. Kielberg and H. J. Aa. Jensen and M. Reiher},
+        title = {Density matrix renormalization group with efficient dynamical electron correlation through range separation},
 	Journal = {J. Chem. Phys.},
 	Pages = {224108},
 	Volume = {142},
@@ -10948,10 +10958,6 @@
 	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.},
@@ -12245,3 +12251,19 @@ doi = {10.1002/jcc.24761},
 eprint = {https://onlinelibrary.wiley.com/doi/pdf/10.1002/jcc.24761},
 year = {2017}
 }
+
+@article{rs_dft_toul_colo_savin,
+  title = {Long-range--short-range separation of the electron-electron interaction in density-functional theory},
+  author = {J. Toulouse and F. Colonna and A. Savin},
+  journal = {Phys. Rev. A},
+  volume = {70},
+  issue = {6},
+  pages = {062505},
+  numpages = {16},
+  year = {2004},
+  month = {Dec},
+  publisher = {American Physical Society},
+  doi = {10.1103/PhysRevA.70.062505},
+  url = {https://link.aps.org/doi/10.1103/PhysRevA.70.062505}
+}
+

Manuscript/G2-srDFT.tex

@@ -153,9 +153,10 @@ One of the most fundamental drawback of conventional WFT methods is the slow con
 This undesirable feature was put into light by Kutzelnigg more than thirty years ago. \cite{Kut-TCA-85}
 To palliate this, in Hylleraas' footsteps, \cite{Hyl-ZP-29} Kutzelnigg proposed to introduce explicitly the interelectronic distance $r_{12} = \abs{\br{1} - \br{2}}$ as a basis function. \cite{Kut-TCA-85, KutKlo-JCP-91, NogKut-JCP-94}
 The resulting F12 methods yields a prominent improvement of the energy convergence, and achieve chemical accuracy for small organic molecules with relatively small Gaussian basis sets. \cite{Ten-TCA-12, TenNog-WIREs-12, HatKloKohTew-CR-12, KonBisVal-CR-12}
-For example, at the CCSD(T) level, it is advertised that one can obtain quintuple-zeta quality correlation energies with a triple-zeta basis, \cite{TewKloNeiHat-PCCP-07} although computational overheads are introduced by the large auxiliary basis used to resolve three- and four-electron integrals.
+For example, at the CCSD(T) level, it is advertised that one can obtain quintuple-zeta quality correlation energies with a triple-zeta basis, \cite{TewKloNeiHat-PCCP-07} although computational overheads are introduced by the large auxiliary basis used to resolve three- and four-electron integrals. Except for these computational considerations, a possible drawback of F12 theory is its quite complicated formulation which requires a deep knowledge in this field in order to adapt F12 theory to a new WFT model. 
+Approximated schemes\cite{TorVal-JCP-09, KonVal-JCP-10, KonVal-JCP-11, BooCleAlaTew-JCP-2012, IrmHumGru-arXiv-2019, IrmGru-arXiv-2019} have emerged in order to reduce the computational cost and simplify the transferability of F12 theory.  
 
-Present-day DFT calculations are almost exclusively done within the so-called Kohn-Sham (KS) formalism, which corresponds to an exact dressed one-electron theory. \cite{KohSha-PR-65}
+Regarding present-day DFT calculations, these are almost exclusively done within the so-called Kohn-Sham (KS) formalism, which corresponds to an exact dressed one-electron theory. \cite{KohSha-PR-65}
 DFT's attractivity originates from its very favorable cost/efficient ratio as it can provide accurate energies and properties at a relatively low computational cost.
 Thanks to this, KS-DFT \cite{HohKoh-PR-64, KohSha-PR-65} has become the workhorse of electronic structure calculations for atoms, molecules and solids. \cite{ParYan-BOOK-89}
 To obtain accurate results within DFT, one only requires an exchange and correlation functionals, which can be classified in various families depending on their physical input quantities. \cite{Bec-JCP-14}
@@ -164,12 +165,10 @@ Although there is no clear way on how to systematically improve density-function
 %The generalized-gradient approximation (GGA) corresponds to the second rung and adds the gradient of the electron density $\nabla n$ as an extra ingredient.\cite{Bec-PRA-88, PerWan-PRA-91, PerBurErn-PRL-96}
 In the present context, one of the interesting feature of density-based methods is their much faster convergence with respect to the size of the basis set. \cite{FraMusLupTou-JCP-15}
 
-Progress toward unifying these two approaches are on-going.
-Using accurate and rigorous WFT methods, some of us have developed radical generalizations of DFT that are free of the well-known limitations of conventional DFT. 
-In that respect range-separated DFT (RS-DFT) is particularly promising as it allows to perform multi-configurational DFT calculations within a rigorous mathematical framework. 
-Range-separated hybrids, i.e.~single-determinant approximations of RS-DFT, correct for the wrong long-range behavior of the usual hybrid approximations thanks to the inclusion of the long-range part of the Hartree-Fock (HF) exchange.  
+Progress toward unifying these two approaches are on-going thanks to a more general formulation of DFT, the so-called range-separated DFT (RS-DFT) (see Ref.~\onlinecite{TouColSav-PRA-04} and references therein) which rigorously combines WFT and DFT.
+In such a formalism the electron-electron interaction is split into a non divergent long-range part which is treated using WFT and a complementary short-range part treated with DFT. As the wave-function part only deals with a non-diverging electron-electron interaction, it is free from the problematic electron cusp condition and the convergence with respect to the one-particle basis set is greatly improved\cite{FraMusLupTou-JCP-15}. Therefore, a number of approximate RS-DFT schemes have been developed using either single-reference WFT approaches (such as M{\o}ller-Plesset perturbation theory\cite{AngGerSavTou-PRA-05}, coupled cluster\cite{GolWerSto-PCCP-05}, random-phase approximations\cite{TouGerJanSavAng-PRL-09,JanHenScu-JCP-09}) or multi-reference WFT approaches (such as multi-reference CI\cite{LeiStoWerSav-CPL-97}, multiconfiguration self-consistent field\cite{FroTouJen-JCP-07}, multi-reference perturbation theory\cite{FroCimJen-PRA-10}, density-matrix renormalization group\cite{HedKneKieJenRei-JCP-15}, selected CI\cite{FerGinTou-JCP-18}).
 
-Other basis set corrections are cool too, \cite{TorVal-JCP-09, KonVal-JCP-10, KonVal-JCP-11, BooCleAlaTew-JCP-2012, IrmHumGru-arXiv-2019, IrmGru-arXiv-2019} but not as cool as ours.
+The present work proposes the extension of a recently proposed basis set correction scheme based on RS-DFT\cite{GinPraFerAssSavTou-JCP-18} together with the first numerical tests on molecular systems. 
 
 %The present manuscript is organized as follows.
 Unless otherwise stated, atomic used are used.