Simple theorems, proofs and derivations in quantum chemistry, Kluwer, p.22, 2003. ,
DOI : 10.1007/978-1-4757-6519-9
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation???Dissipation Theorem Approach, Journal of Chemical Theory and Computation, vol.7, issue.10, pp.3116-3160, 2011. ,
DOI : 10.1021/ct200501r
Modern Quantum Chemistry, Introduction to Advanced Electronic Structure Theory, pp.23-26, 1989. ,
Universal variational functionals of electron densities, first-order density matrices, and natural spin-orbitals and solution of the v-representability problem, Proc. Natl. Acad. Sci, pp.6062-6090, 1979. ,
DOI : 10.1073/pnas.76.12.6062
Self-Consistent Equations Including Exchange and Correlation Effects, Physical Review, vol.119, issue.4A, pp.1133-1162, 1965. ,
DOI : 10.1103/PhysRev.119.1153
« The World of non-covalent interacions, Coll. Czech. Chem. Commun, pp.71-443, 2006. ,
Universal nature of van der Waals forces for Coulomb systems, Physical Review A, vol.11, issue.1, pp.40-70, 1986. ,
DOI : 10.1088/0022-3700/11/19/001
High accuracy benchmark calculations on the benzene dimer potential energy surface, Chemical Physics Letters, vol.447, issue.1-3, pp.27-30, 2007. ,
DOI : 10.1016/j.cplett.2007.09.003
A density functional for sparse matter, Journal of Physics: Condensed Matter, vol.21, issue.8, pp.84203-84233, 2009. ,
DOI : 10.1088/0953-8984/21/8/084203
The Theory of Intermolecular Forces, p.30, 1997. ,
DOI : 10.1093/acprof:oso/9780199672394.001.0001
« Prediction of Dispersion Forces : Is There a Problem ? » Austral, J. Chem, vol.54, issue.37, pp.513-543, 2001. ,
Exchange-correlation functional with broad accuracy for metallic and nonmetallic compounds, kinetics, and noncovalent interactions, The Journal of Chemical Physics, vol.123, issue.16, pp.161103-161133, 2005. ,
DOI : 10.1021/jp021590l
Design of Density Functionals by Combining the Method of Constraint Satisfaction with Parametrization for Thermochemistry, Thermochemical Kinetics, and Noncovalent Interactions, Thermochemical Kinetics, and Noncovalent Interactions, pp.364-394, 2006. ,
DOI : 10.1021/ct0502763
Enhancement factors in semi-empirical exchange???correlation functionals, Molecular Physics, vol.103, issue.17, pp.2397-2427, 2005. ,
DOI : 10.1063/1.1412605
From The Cover: The X3LYP extended density functional for accurate descriptions of nonbond interactions, spin states, and thermochemical properties, Proc. Natl. Acad. Sci, pp.2673-2703, 2004. ,
DOI : 10.1080/00268979609482483
An extended hybrid density functional (X3LYP) with improved descriptions of nonbond interactions and thermodynamic properties of molecular systems, The Journal of Chemical Physics, vol.76, issue.1, pp.14105-14135, 2005. ,
DOI : 10.1063/1.438628
Accurate description of van der Waals complexes by density functional theory including empirical corrections, Journal of Computational Chemistry, vol.101, issue.12, pp.1463-1493, 2004. ,
DOI : 10.1021/jp001766o
Hydrogen bonding and stacking interactions of nucleic acid base pairs: A density-functional-theory based treatment, The Journal of Chemical Physics, vol.11, issue.12, pp.5149-5179, 2001. ,
DOI : 10.1002/(SICI)1097-461X(2000)78:6<459::AID-QUA7>3.0.CO;2-R
Empirical correction to density functional theory for van der Waals interactions, The Journal of Chemical Physics, vol.76, issue.2, pp.515-545, 2002. ,
DOI : 10.1021/ja00105a034
Semiempirical GGA-type density functional constructed with a long-range dispersion correction, Journal of Computational Chemistry, vol.10, issue.15, pp.1787-1817, 2006. ,
DOI : 10.1007/s002140050244
Dispersion corrections to density functionals for water aromatic interactions, The Journal of Chemical Physics, vol.230, issue.6, pp.2693-2723, 2004. ,
DOI : 10.1103/PhysRevLett.55.2471
Nonlocal Wigner-like correlation-energy density functional through coordinate scaling, Physical Review B, vol.38, issue.18, pp.12930-12960, 1990. ,
DOI : 10.1063/1.1733957
Density-functional study of van der Waals forces on rare-gas diatomics: Hartree???Fock exchange, The Journal of Chemical Physics, vol.110, issue.4, pp.1916-1946, 1999. ,
DOI : 10.1002/qua.560560611
Exact exchange and Wilson???Levy correlation: a pragmatic device for studying complex weakly-bonded systems, Phys. Chem. Chem. Phys., vol.91, issue.19, pp.443-473, 2005. ,
DOI : 10.1039/FT9959104337
Real-space post-Hartree???Fock correlation models, The Journal of Chemical Physics, vol.122, issue.6, pp.64101-64131, 2005. ,
DOI : 10.1002/qua.560520855
Exchange-hole dipole moment and the dispersion interaction, The Journal of Chemical Physics, vol.98, issue.15, pp.154104-154134, 2005. ,
DOI : 10.1063/1.1424928
A density-functional model of the dispersion interaction, The Journal of Chemical Physics, vol.123, issue.15, pp.154101-154131, 2005. ,
DOI : 10.1063/1.477267
A post-Hartree???Fock model of intermolecular interactions, The Journal of Chemical Physics, vol.123, issue.2, pp.24101-24131, 2005. ,
DOI : 10.1021/j100785a001
A post-Hartree-Fock model of intermolecular interactions: Inclusion of higher-order corrections, The Journal of Chemical Physics, vol.124, issue.17, pp.174104-174134, 2006. ,
DOI : 10.1063/1.1844493
On the exchange-hole model of London dispersion forces, The Journal of Chemical Physics, vol.57, issue.2, pp.24108-24138, 2007. ,
DOI : 10.1103/PhysRevLett.96.073201
Density functional theory including Van Der Waals forces, Density Functional Theory Including van der Waals Forces, pp.247-277, 1995. ,
DOI : 10.1103/PhysRevB.30.5721
« van der Waals Interactions in Density- Functional Theory, Phys. Rev. Lett, vol.76, p.30, 1996. ,
Constraint Satisfaction in Local and Gradient Susceptibility Approximations: Application to a van der Waals Density Functional, Physical Review Letters, vol.46, issue.11, pp.1780-1810, 1996. ,
DOI : 10.1071/PH930391
Unified treatment of asymptotic van der Waals forces, Unified treatment of asymptotic van der Waals forces, pp.4708-4738, 1999. ,
DOI : 10.1103/PhysRevB.33.7249
Tractable nonlocal correlation density functionals for flat surfaces and slabs, Physical Review B, vol.34, issue.11, pp.6997-7027, 2000. ,
DOI : 10.1103/PhysRevB.34.6767
Van der Waals Density Functional for Layered Structures, Van der Waals Density Functional for Layered Structures, pp.126402-126432, 2003. ,
DOI : 10.1103/PhysRevB.67.085410
Van der Waals Density Functional for General Geometries, Physical Review Letters, vol.21, issue.24, pp.246401-246431, 2004. ,
DOI : 10.1021/ja0105212
Van der Waals density functional theory with applications, Van der Waals density functional theory with applications, pp.599-629, 2005. ,
DOI : 10.1103/PhysRevB.64.235305
Intermolecular induction and exchange-induction energies from coupled-perturbed Kohn???Sham density functional theory, Chemical Physics Letters, vol.362, issue.3-4, pp.319-349, 2002. ,
DOI : 10.1016/S0009-2614(02)01097-7
Intermolecular dispersion energies from time-dependent density functional theory, Chemical Physics Letters, vol.367, issue.5-6, pp.778-808, 2003. ,
DOI : 10.1016/S0009-2614(02)01796-7
Density-functional theory-symmetry-adapted intermolecular perturbation theory with density fitting: A new efficient method to study intermolecular interaction energies, The Journal of Chemical Physics, vol.122, issue.1, pp.14103-14133, 2005. ,
DOI : 10.1016/0009-2614(93)85670-J
Dispersion Energy from Density-Functional Theory Description of Monomers, Physical Review Letters, vol.307, issue.3, pp.33201-33231, 2003. ,
DOI : 10.1016/S0009-2614(02)01796-7
Unified treatment of chemical and van der Waals forces via symmetry-adapted perturbation expansion, The Journal of Chemical Physics, vol.12, issue.15, pp.6849-6879, 2004. ,
DOI : 10.1063/1.480665
van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections, Physical Review A, vol.99, issue.1, pp.12510-12540, 2005. ,
DOI : 10.1063/1.478678
Hybrid functional with separated range, Chemical Physics Letters, vol.415, issue.1-3, pp.30-32, 2005. ,
DOI : 10.1016/j.cplett.2005.08.060
URL : https://hal.archives-ouvertes.fr/hal-00089571
« Density functionals for correlation energies of atoms and molecules ». Density functional methods in Physics, p.30, 1985. ,
A combined density functional and configuration interaction method, International Journal of Quantum Chemistry, vol.46, issue.S22, p.30, 1988. ,
DOI : 10.1103/PhysRevB.22.1380
On degeneracy, near-degeneracy and density functional theory ». Recent developments ans Applications of Modern Density Functional Theory, p.30, 1996. ,
Combining long-range configuration interaction with short-range density functionals, Chemical Physics Letters, vol.275, issue.3-4, pp.151-181, 1997. ,
DOI : 10.1016/S0009-2614(97)00758-6
Long-range???short-range separation of the electron-electron interaction in density-functional theory, Physical Review A, vol.91, issue.6, pp.62505-62535, 2004. ,
DOI : 10.1103/PhysRevA.7.1648
URL : https://hal.archives-ouvertes.fr/hal-00023283
A short-range gradient-corrected density functional in long-range coupled-cluster calculations for rare gas dimers, Physical Chemistry Chemical Physics, vol.118, issue.23, pp.3917-3947, 2005. ,
DOI : 10.1039/b509242f
Short-range density functionals in combination with local long-range ab initio methods: Application to non-bonded complexes, Chemical Physics, vol.346, issue.1-3, pp.257-287, 2008. ,
DOI : 10.1016/j.chemphys.2008.01.038
Density functionals for the Yukawa electron-electron interaction, International Journal of Quantum Chemistry, vol.58, issue.4, pp.327-357, 1995. ,
DOI : 10.1007/978-1-4612-3136-3_14
Density Functional Theory with Correct Long-Range Asymptotic Behavior, Physical Review Letters, vol.13, issue.4, pp.43002-43032, 2005. ,
DOI : 10.1063/1.456415
Gaussian attenuation hybrid scheme applied to the Ernzerhof-Perdew exchange hole model (Gau-PBEh), The Journal of Chemical Physics, vol.137, issue.24, pp.244105-244135, 2012. ,
DOI : 10.1063/1.4722993
Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction, International Journal of Quantum Chemistry, vol.26, issue.6, pp.1047-1077, 2004. ,
DOI : 10.1007/978-3-642-97477-9
URL : https://hal.archives-ouvertes.fr/hal-00981847
A long-range correction scheme for generalized-gradient-approximation exchange functionals, The Journal of Chemical Physics, vol.115, issue.8, pp.3540-3571, 2001. ,
DOI : 10.1103/PhysRevB.62.15527
Local-spin-density functional for multideterminant density functional theory, Physical Review B, vol.58, issue.15, pp.155111-155142, 2006. ,
DOI : 10.1063/1.1904566
On the universality of the long-/short-range separation in multiconfigurational density-functional theory, The Journal of Chemical Physics, vol.126, issue.7, pp.74111-74143, 2007. ,
DOI : 10.1063/1.438980
URL : https://hal.archives-ouvertes.fr/hal-01373289
Hybrid functionals based on a screened Coulomb potential, The Journal of Chemical Physics, vol.118, issue.18, pp.8207-8239, 2003. ,
DOI : 10.1063/1.477422
Short-range exchange and correlation energy density functionals: Beyond the local-density approximation, The Journal of Chemical Physics, vol.514, issue.1, pp.14110-14142, 2005. ,
DOI : 10.1103/PhysRevA.43.4637
URL : https://hal.archives-ouvertes.fr/hal-00023284
Potential curves for alkaline-earth dimers by density functional theory with long-range correlation corrections, Chemical Physics Letters, vol.416, issue.4-6, pp.32-48, 2005. ,
DOI : 10.1016/j.cplett.2005.09.059
URL : https://hal.archives-ouvertes.fr/hal-00089570
London dispersion forces by range-separated hybrid density functional with second order perturbational corrections: The case of rare gas complexes, The Journal of Chemical Physics, vol.53, issue.4, pp.44103-44135, 2007. ,
DOI : 10.1063/1.1884112
URL : https://hal.archives-ouvertes.fr/hal-00207473
Local and density fitting approximations within the short-range/long-range hybrid scheme: application to large non-bonded complexes, Physical Chemistry Chemical Physics, vol.8, issue.23, pp.3353-3385, 2008. ,
DOI : 10.1039/b804334e
Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals, Physical Chemistry Chemical Physics, vol.109, issue.42, pp.9677-9709, 2009. ,
DOI : 10.1103/PhysRevA.47.3649
Combining multideterminantal wave functions with density functionals to handle near-degeneracy in atoms and molecules, The Journal of Chemical Physics, vol.29, issue.4, pp.1250-1282, 2002. ,
DOI : 10.1063/1.1669836
A short-range gradient-corrected spin density functional in combination with long-range coupled-cluster methods: Application to alkali-metal rare-gas dimers, Chemical Physics, vol.329, issue.1-3, pp.276-308, 2006. ,
DOI : 10.1016/j.chemphys.2006.05.020
Improved dipole moments by combining short-range gradient-corrected density-functional theory with long-range wave-function methods, Physical Review A, vol.25, issue.3, pp.32507-32539, 2007. ,
DOI : 10.1016/0009-2614(83)87440-5
Development and assessment of a short-range meta-GGA functional, The Journal of Chemical Physics, vol.130, issue.23, pp.234112-234144, 2009. ,
DOI : 10.1063/1.2244560
Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions, The Journal of Chemical Physics, vol.132, issue.24, pp.244108-244140, 2010. ,
DOI : 10.1063/1.3243819
URL : https://hal.archives-ouvertes.fr/hal-00976481
On the universality of the long-/short-range separation in multiconfigurational density-functional theory. II. Investigating f[sup 0] actinide species, The Journal of Chemical Physics, vol.58, issue.5, pp.54107-54139, 2009. ,
DOI : 10.1063/1.2822021
URL : https://hal.archives-ouvertes.fr/hal-01373289
Importance of short-range versus long-range Hartree-Fock exchange for the performance of hybrid density functionals, The Journal of Chemical Physics, vol.125, issue.7, pp.74106-74138, 2006. ,
DOI : 10.1063/1.473946
Fundamental Gaps in Finite Systems from Eigenvalues of a Generalized Kohn-Sham Method, Physical Review Letters, vol.105, issue.26, pp.266802-266834, 2010. ,
DOI : 10.1103/PhysRevLett.86.1813
Curvature and Frontier Orbital Energies in Density Functional Theory, The Journal of Physical Chemistry Letters, vol.3, issue.24, pp.3740-3772, 2012. ,
DOI : 10.1021/jz3015937
Generalized adiabatic connection in density functional theory, The Journal of Chemical Physics, vol.13, issue.23, pp.10107-10139, 1998. ,
DOI : 10.1103/PhysRevLett.49.1691
Adiabatic connection approach to density functional theory of electronic systems, International Journal of Quantum Chemistry, vol.93, issue.3, pp.166-198, 2003. ,
DOI : 10.1002/qua.10551
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications, Physical Review A, vol.11, issue.3, pp.32502-32536, 2010. ,
DOI : 10.1063/1.1353585
URL : https://hal.archives-ouvertes.fr/hal-00975110
Potential-Driven Adiabatic Connection in Density Functional Theory, Journal of Chemical Theory and Computation, vol.5, issue.4, p.34, 2009. ,
DOI : 10.1021/ct8005776
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation???Dissipation Theorem Approach, Journal of Chemical Theory and Computation, vol.7, issue.10, pp.3116-3160, 2011. ,
DOI : 10.1021/ct200501r
« Prediction of Dispersion Forces : Is There a Problem ? » Austral, J. Chem, vol.54, issue.37, pp.513-543, 2001. ,
On the exchange-hole model of London dispersion forces, The Journal of Chemical Physics, vol.57, issue.2, pp.24108-24138, 2007. ,
DOI : 10.1103/PhysRevLett.96.073201
Van der Waals Density Functional for Layered Structures, Van der Waals Density Functional for Layered Structures, pp.126402-126432, 2003. ,
DOI : 10.1103/PhysRevB.67.085410
Van der Waals Density Functional for General Geometries, Physical Review Letters, vol.21, issue.24, pp.246401-246431, 2004. ,
DOI : 10.1021/ja0105212
van der Waals forces in density functional theory: Perturbational long-range electron-interaction corrections, Physical Review A, vol.99, issue.1, pp.12510-12540, 2005. ,
DOI : 10.1063/1.478678
Potential curves for alkaline-earth dimers by density functional theory with long-range correlation corrections, Chemical Physics Letters, vol.416, issue.4-6, pp.32-48, 2005. ,
DOI : 10.1016/j.cplett.2005.09.059
URL : https://hal.archives-ouvertes.fr/hal-00089570
Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals, Physical Chemistry Chemical Physics, vol.109, issue.42, pp.9677-9709, 2009. ,
DOI : 10.1103/PhysRevA.47.3649
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications, Physical Review A, vol.11, issue.3, pp.32502-32536, 2010. ,
DOI : 10.1063/1.1353585
URL : https://hal.archives-ouvertes.fr/hal-00975110
A Collective Description of Electron Interactions. I. Magnetic Interactions, Physical Review, vol.80, issue.5, pp.36-37, 1951. ,
DOI : 10.1103/PhysRev.80.903.2
Individual Particle Aspects of the Interactions, Physical Review, vol.24, issue.2, pp.338-374, 1952. ,
DOI : 10.1002/andp.19484370302
A Collective Description of Electron Interactions: III. Coulomb Interactions in a Degenerate Electron Gas, Physical Review, vol.75, issue.3, pp.609-645, 1953. ,
DOI : 10.1103/PhysRev.75.1864
Correlation Energy of an Electron Gas at High Density, Physical Review, vol.92, issue.2, pp.364-400, 1957. ,
DOI : 10.1103/PhysRev.92.609
Molecular tests of the random phase approximation to the exchange-correlation energy functional, Physical Review B, vol.273, issue.19, pp.37-46, 2001. ,
DOI : 10.1016/0022-2860(92)87094-C
Accurate density functionals:??????Approaches using the adiabatic-connection fluctuation-dissipation theorem, Physical Review B, vol.62, issue.23, pp.235109-235146, 2002. ,
DOI : 10.1103/PhysRevB.62.10038
Describing static correlation in bond dissociation by Kohn???Sham density functional theory, The Journal of Chemical Physics, vol.122, issue.9, pp.94116-94153, 2005. ,
DOI : 10.1103/PhysRevLett.90.043005
Fluctuation-dissipation theorem density-functional theory, The Journal of Chemical Physics, vol.122, issue.16, pp.164106-164143, 2005. ,
DOI : 10.1002/qua.10425
Random-phase-approximation-based correlation energy functionals: Benchmark results for atoms, The Journal of Chemical Physics, vol.127, issue.18, pp.184108-184145, 2007. ,
DOI : 10.1103/PhysRevA.47.3649
Correlation potential in density functional theory at the GWA level: Spherical atoms, Physical Review B, vol.101, issue.7, pp.75107-75144, 2007. ,
DOI : 10.1063/1.1884965
Developing the random phase approximation into a practical post-Kohn???Sham correlation model, The Journal of Chemical Physics, vol.26, issue.11, pp.114105-114142, 2008. ,
DOI : 10.1063/1.469408
First-Principles Description of Correlation Effects in Layered Materials, Physical Review Letters, vol.269, issue.13, pp.136404-136441, 2006. ,
DOI : 10.1103/PhysRevB.71.205201
Cohesive energy curves for noble gas solids calculated by adiabatic connection fluctuation-dissipation theory, Physical Review B, vol.77, issue.4, pp.45136-45173, 2008. ,
DOI : 10.1063/1.1926272
Electron Correlations at Metallic Densities, Physical Review, vol.137, issue.2, pp.589-626, 1968. ,
DOI : 10.1103/PhysRev.137.B1634
Density functional for short-range correlation: Accuracy of the random-phase approximation for isoelectronic energy changes, Physical Review B, vol.12, issue.24, pp.16430-16467, 2000. ,
DOI : 10.1103/PhysRevA.14.36
Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation, Physical Review Letters, vol.102, issue.9, pp.96404-96441, 2009. ,
DOI : 10.1063/1.1543944
URL : https://hal.archives-ouvertes.fr/hal-00978055
Long-range-corrected hybrids including random phase approximation correlation, The Journal of Chemical Physics, vol.130, issue.8, pp.81105-81142, 2009. ,
DOI : 10.1063/1.1321305
Long-range-corrected hybrid density functionals including random phase approximation correlation: Application to noncovalent interactions, The Journal of Chemical Physics, vol.131, issue.3, pp.34110-34147, 2009. ,
DOI : 10.1021/jp990629s
The role of the reference state in long-range random phase approximation correlation, The Journal of Chemical Physics, vol.131, issue.15, pp.154106-154143, 2009. ,
DOI : 10.1063/1.1590951
Hybrid functionals including random phase approximation correlation and second-order screened exchange, The Journal of Chemical Physics, vol.132, issue.9, pp.94103-94140, 2010. ,
DOI : 10.1039/b311840a
Erratum, Mycopathologia, vol.91, issue.3, pp.246401-109902, 2004. ,
DOI : 10.1007/BF00446300
Soft cohesive forces, Soft Cohesive Forces, pp.579-616, 2005. ,
DOI : 10.1071/PH930391
Validity Comparison Between Asymptotic Dispersion Energy Formalisms for Nanomaterials, Journal of Computational and Theoretical Nanoscience, vol.6, issue.5, pp.960-997, 2009. ,
DOI : 10.1166/jctn.2009.1131
The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach, The Journal of Chemical Physics, vol.129, issue.23, pp.231101-231138, 2008. ,
DOI : 10.1063/1.434580
Exploring the random phase approximation: Application to CO adsorbed on Cu(111), Physical Review B, vol.54, issue.4, pp.45402-45439, 2009. ,
DOI : 10.1016/0039-6028(85)90013-5
Calculation of van der Waals Bonded Molecular Crystals, Physical Review Letters, vol.11, issue.20, pp.206411-206448, 2009. ,
DOI : 10.1016/0921-4526(92)90406-I
Accurate Bulk Properties from Approximate Many-Body Techniques, Physical Review Letters, vol.11, issue.5, pp.56401-56438, 2009. ,
DOI : 10.1103/PhysRevLett.99.246403
Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory, Physical Review B, vol.13, issue.20, pp.205114-205151, 2009. ,
DOI : 10.1103/PhysRevB.69.045111
The surface energy of a bounded electron gas, Journal of Physics F: Metal Physics, vol.4, issue.8, pp.1170-1208, 1974. ,
DOI : 10.1088/0305-4608/4/8/013
The exchange-correlation energy of a metallic surface, Solid State Communications, vol.17, issue.11, pp.1425-1463, 1975. ,
DOI : 10.1016/0038-1098(75)90618-3
The exchange-correlation energy of a metallic surface, Solid State Communications, vol.17, issue.11, pp.2884-2922, 1977. ,
DOI : 10.1016/0038-1098(75)90618-3
« 3 -Linear Response Theory ». Quantum Theory of the Electron Liquid, p.39, 2005. ,
Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional, Physical Review Letters, vol.106, issue.9, pp.93001-93048, 2011. ,
DOI : 10.1063/1.456153
Time-Dependent Hartree???Fock Theory for Molecules, Reviews of Modern Physics, vol.31, issue.3, p.50, 1964. ,
DOI : 10.1016/0029-5582(62)90741-1
Non-Adiabatic Meson Theory of Nuclear Forces, Physical Review, vol.50, issue.4, p.52, 1950. ,
DOI : 10.1103/PhysRev.50.783
Nuclear ground states in the random phase approximation, Physics Letters, vol.19, issue.2, pp.141-54, 1965. ,
DOI : 10.1016/0031-9163(65)90751-1
Coupled-cluster expansion applied to the electron gas: Inclusion of ring and exchange effects, Physical Review B, vol.139, issue.12, pp.5512-54, 1977. ,
DOI : 10.1103/PhysRev.139.A796
M??ller-Plesset expansion of the dispersion energy in the ring approximation, International Journal of Quantum Chemistry, vol.73, issue.5, pp.409-54, 1993. ,
DOI : 10.1063/1.440116
« Cage and tube structures of mediumsized zinc oxide clusters (ZnO)n (n=24, 28, 36, and 48), J. Chem. Phys, vol.128, p.56, 2008. ,
Making the random phase approximation to electronic correlation accurate, The Journal of Chemical Physics, vol.131, issue.15, pp.154115-57, 2009. ,
DOI : 10.1103/PhysRevLett.99.246403
On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions, The Journal of Chemical Physics, vol.133, issue.15, pp.154106-57, 2010. ,
DOI : 10.1016/S0065-3276(08)60240-3
Third-order corrections to random-phase approximation correlation energies, The Journal of Chemical Physics, vol.11, issue.20, pp.204107-57, 2011. ,
DOI : 10.1063/1.466439
Random-phase-approximation correlation method including exchange interactions, Physical Review A, vol.11, issue.1, pp.12517-57, 2012. ,
DOI : 10.1021/ct9005882
The correlation energy in the random phase approximation: Intermolecular forces between closed???shell systems, The Journal of Chemical Physics, vol.11, issue.10, pp.4351-58, 1977. ,
DOI : 10.1063/1.1677714
Interaction energies between closed-shell systems: The correlation energy in the random phase approximation, International Journal of Quantum Chemistry, vol.39, issue.S11, pp.389-58, 1977. ,
DOI : 10.1002/qua.560120846
Application of the RPA and Higher RPA to the V and T States of Ethylene, The Journal of Chemical Physics, vol.54, issue.4, pp.1738-58, 1971. ,
DOI : 10.1063/1.1674235
The self-consistent random phase approximation, Chemical Physics Letters, vol.11, issue.4, p.58, 1971. ,
DOI : 10.1016/0009-2614(71)80382-2
MOLPRO, version 2012.1, a package of ab initio programs, pp.63-86 ,
« Localized orbitals and localized adjustment functions ». Quantum theory of atoms, molecules, and the solid state, p.68, 1966. ,
Quantum theory of atoms, molecules, and the solid state, p.68, 1966. ,
« The Two-Electron Bond as a Molecular Building Block ». Theoretical Models of Chemical Bonding, Part 2 : The Concept of the Chemical Bond, p.68, 1990. ,
studies of the water dimer, The Journal of Chemical Physics, vol.59, issue.3, pp.2170-68, 1993. ,
DOI : 10.1063/1.456153
Local treatment of electron correlation in coupled cluster theory, The Journal of Chemical Physics, vol.14, issue.16, pp.6286-68, 1996. ,
DOI : 10.1002/jcc.540040303
Low-order scaling local electron correlation methods. I. Linear scaling local MP2, The Journal of Chemical Physics, vol.111, issue.13, pp.5691-68, 1999. ,
DOI : 10.1002/(SICI)1097-461X(1996)60:6<1101::AID-QUA1>3.0.CO;2-3
Molecular Orbitals in Chemistry, Physics and Biology, p.68, 1964. ,
Alternative Method for Calculating SCF Orbitals, The Journal of Chemical Physics, vol.159, issue.10, p.68, 1955. ,
DOI : 10.1103/RevModPhys.23.69
Direct determination of localized SCF orbitals, Chemical Physics Letters, vol.24, issue.4, p.68, 1974. ,
DOI : 10.1016/0009-2614(74)80185-5
The iterative calculation of a few of the lowest eigenvalues and corresponding eigenvectors of large real-symmetric matrices, Journal of Computational Physics, vol.17, issue.1, p.68, 1975. ,
DOI : 10.1016/0021-9991(75)90065-0
« On the Derivation of the Hartree?Fock Equations, Acta Phys. Hung, vol.30, issue.373, p.68, 1971. ,
« On the Derivation of the Hartree?Fock Equations III. Introduction of the LCAO Formalism, Acta Phys. Hung, vol.36, issue.11, p.68, 1974. ,
Localized Atomic and Molecular Orbitals, Reviews of Modern Physics, vol.66, issue.3, p.69, 1963. ,
DOI : 10.1021/j100818a001
Construction of Some Molecular Orbitals to Be Approximately Invariant for Changes from One Molecule to Another, Reviews of Modern Physics, vol.32, issue.2, pp.296-69, 1960. ,
DOI : 10.1103/RevModPhys.32.300
Uniform Localization of Atomic and Molecular Orbitals. I, The Journal of Chemical Physics, vol.47, issue.3, pp.971-69, 1967. ,
DOI : 10.1063/1.1734456
Second order Mo/ller???Plesset perturbation theory without basis set superposition error, The Journal of Chemical Physics, vol.109, issue.9, pp.3360-69, 1998. ,
DOI : 10.1021/jp952860l
Orthogonal effective atomic orbitais in the topological theory of atoms, Canadian Journal of Chemistry, vol.225, issue.6, pp.939-69, 1996. ,
DOI : 10.1063/1.1711846
« Localized orbitals and localized adjustment functions ». Quantum Theory of Atoms, Molecules, and the Solid State, A Tribute to John C. Slater, pp.69-74, 1966. ,
and semiempirical linear combination of atomic orbital wave functions, The Journal of Chemical Physics, vol.12, issue.9, pp.4916-70, 1989. ,
DOI : 10.1063/1.1672303
Linear Response and Measures of Electron Delocalization in Molecules, Current Organic Chemistry, vol.15, issue.20, pp.70-92, 2011. ,
DOI : 10.2174/138527211797636219
Fast localized orthonormal virtual orbitals which depend smoothly on nuclear coordinates, The Journal of Chemical Physics, vol.123, issue.11, pp.114108-70, 2005. ,
DOI : 10.1002/1096-987X(200012)21:16<1532::AID-JCC10>3.0.CO;2-W
Calculation of the dispersion interaction energy by using localized molecular orbitals, The Journal of Chemical Physics, vol.75, issue.8, pp.5565-70, 1991. ,
DOI : 10.1080/00268978300102001
Localizability of dynamic electron correlation, Chemical Physics Letters, vol.100, issue.2, pp.70-71, 1983. ,
DOI : 10.1016/0009-2614(83)80703-9
= 2???4, The Journal of Physical Chemistry A, vol.102, issue.29, pp.5997-70, 1998. ,
DOI : 10.1021/jp981168y
Direct selected multireference configuration interaction calculations for large systems using localized orbitals, The Journal of Chemical Physics, vol.3, issue.1, pp.14101-70, 2011. ,
DOI : 10.1007/BF01120130
URL : https://hal.archives-ouvertes.fr/hal-00870759
An efficient linear-scaling CCSD(T) method based on local natural orbitals, The Journal of Chemical Physics, vol.139, issue.9, pp.94105-70, 2013. ,
DOI : 10.1063/1.460620
Local orbitals by minimizing powers of the orbital variance, The Journal of Chemical Physics, vol.134, issue.19, p.70, 2011. ,
DOI : 10.1063/1.456153
Orbital localization using fourth central moment minimization, The Journal of Chemical Physics, vol.137, issue.22, pp.224114-70, 2012. ,
DOI : 10.1137/1.9780898719642
Efficient and accurate approximations to the local coupled cluster singles doubles method using a truncated pair natural orbital basis, The Journal of Chemical Physics, vol.32, issue.6, pp.64103-70, 2009. ,
DOI : 10.1063/1.2884725
Tensor factorizations of local second-order M??ller???Plesset theory, The Journal of Chemical Physics, vol.134, issue.4, pp.44123-70, 2011. ,
DOI : 10.1063/1.2000252
Frozen natural orbital coupled-cluster theory: Forces and application to decomposition of nitroethane, The Journal of Chemical Physics, vol.418, issue.16, pp.164101-70, 2008. ,
DOI : 10.1098/rsta.1959.0011
Frozen natural orbitals for ionized states within equation-of-motion coupled-cluster formalism, The Journal of Chemical Physics, vol.208, issue.1, pp.14109-70, 2010. ,
DOI : 10.1021/jp0705929
Optimized virtual orbitals for correlated calculations: Towards large scale CCSD(T) calculations of molecular dipole moments and polarizabilities, Journal of Molecular Structure: THEOCHEM, vol.768, issue.1-3, pp.79-70, 2006. ,
DOI : 10.1016/j.theochem.2006.05.018
« Optimized virtual orbitals for relativistic calculations : an alternative approach to the basis set construction for correlation calculations, Mol. Phys, vol.104, pp.2277-70, 2006. ,
« Ab Initio Methods for Electron Correlation in Molecules ». Modern Methods and Algorithms of Quantum Chemistry, pp.71-75, 2000. ,
Orbital-invariant formulation and second-order gradient evaluation in M???ller-Plesset perturbation theory, Theoretica Chimica Acta, vol.35, issue.5-6, pp.357-71, 1986. ,
DOI : 10.1007/978-94-010-1815-9_8
Fourth???order Mo/ller???Plessett perturbation theory in the local correlation treatment. I. Method, The Journal of Chemical Physics, vol.13, issue.2, pp.914-71, 1987. ,
DOI : 10.1063/1.438955
Comparison of the boys and Pipek-Mezey localizations in the local correlation approach and automatic virtual basis selection, Journal of Computational Chemistry, vol.1, issue.6, pp.736-71, 1993. ,
DOI : 10.1002/jcc.540140615
Multipole approximation of distant pair energies in local MP2 calculations, Chemical Physics Letters, vol.290, issue.1-3, pp.143-72, 1998. ,
DOI : 10.1016/S0009-2614(98)00491-6
A near linear-scaling smooth local coupled cluster algorithm for electronic structure, The Journal of Chemical Physics, vol.94, issue.7, pp.74116-72, 2006. ,
DOI : 10.1063/1.2209685
The limits of local correlation theory: Electronic delocalization and chemically smooth potential energy surfaces, The Journal of Chemical Physics, vol.94, issue.3, pp.34103-72, 2008. ,
DOI : 10.1063/1.2364487
Short range DFT combined with long-range local RPA within a range-separated hybrid DFT framework, Chemical Physics Letters, vol.550, pp.162-72, 2012. ,
DOI : 10.1016/j.cplett.2012.08.073
URL : https://hal.archives-ouvertes.fr/hal-01137697
A Quantum Variational Calculation for HCHO, Reviews of Modern Physics, vol.32, issue.2, pp.303-74, 1960. ,
DOI : 10.1103/RevModPhys.32.300
Contracted and uncontracted oscillator orbitals in CI calculations on two electron systems, Theoretica Chimica Acta, vol.8, issue.1, pp.42-74, 1972. ,
DOI : 10.1007/BF00528309
Polarization Fluctuations in Insulators and Metals: New and Old Theories Merge, Physical Review Letters, vol.50, issue.13, pp.137601-74, 2006. ,
DOI : 10.1063/1.4822570
Dual-Basis Analytic Gradients. 1. Self-Consistent Field Theory, The Journal of Physical Chemistry A, vol.110, issue.51, p.75, 2006. ,
DOI : 10.1021/jp065444h
Second-order M??ller???Plesset calculations with dual basis sets, The Journal of Chemical Physics, vol.118, issue.21, p.75, 2003. ,
DOI : 10.1021/ja984451j
Low-order scaling local correlation methods II: Splitting the Coulomb operator in linear scaling local second-order M??ller???Plesset perturbation theory, The Journal of Chemical Physics, vol.64, issue.21, pp.9443-79, 2000. ,
DOI : 10.1093/nar/28.1.235
« Weak interactions between molecules, Croat. Chem. Acta, vol.57, issue.865, p.81, 1984. ,
Coupled perturbation theory within the antisymmetrized product of separated geminals (APSG) framework, International Journal of Quantum Chemistry, vol.22, issue.5, pp.763-81, 1981. ,
DOI : 10.1002/qua.560190507
Van der Waals interactions in density functional theory by combining the quantum harmonic oscillator-model with localized Wannier functions, The Journal of Chemical Physics, vol.139, issue.5, p.82 ,
DOI : 10.1103/PhysRevB.87.064110
On the exchange-hole model of London dispersion forces, The Journal of Chemical Physics, vol.57, issue.2, pp.24108-24138, 2007. ,
DOI : 10.1103/PhysRevLett.96.073201
MOLPRO, version 2012.1, a package of ab initio programs, pp.63-86 ,
Linear Response and Measures of Electron Delocalization in Molecules, Current Organic Chemistry, vol.15, issue.20, pp.70-92, 2011. ,
DOI : 10.2174/138527211797636219
On the shape of spherically averaged Fermi-hole correlation functions in density functional theory. 1. Atomic systems, Canadian Journal of Chemistry, vol.67, issue.3, p.460, 1989. ,
DOI : 10.1139/v89-073
Localized orbitals and the Fermi hole, Theoretica Chimica Acta, vol.51, issue.3, 1982. ,
DOI : 10.1002/ijch.198000011
« Properties of the Fermi hole and electronic localization ». Properties of the Fermi hole and electronic localization, 1990. ,
An approximate exchange-correlation hole density as a functional of the natural orbitals, Molecular Physics, vol.111, issue.4, p.401, 2002. ,
DOI : 10.1098/rspa.1961.0008
Asymptotic method for polarizabilities and dispersion coefficients: With applications to hydrogen and helium systems, The Journal of Chemical Physics, vol.12, issue.10, p.96, 1997. ,
DOI : 10.1063/1.473089
The Drude oscillator model with different frequencies for different atomic and molecular properties, Journal of Physics B: Atomic and Molecular Physics, vol.12, issue.24, pp.4021-96, 1979. ,
DOI : 10.1088/0022-3700/12/24/009
calculations of electronic excitations: Collapsing spectral sums, Physical Review B, vol.82, issue.4, pp.41103-96, 2010. ,
DOI : 10.1103/PhysRevLett.91.056402
URL : https://hal.archives-ouvertes.fr/hal-00562657
Efficient calculation of the polarizability: a simplified effective-energy technique, The European Physical Journal B, vol.13, issue.9, pp.96-99, 2012. ,
DOI : 10.1103/PhysRevB.13.5188
URL : https://hal.archives-ouvertes.fr/hal-00781225
Recent Developments in Perturbation Theory, Adv. Quantum Chem, vol.1, pp.255-98, 1964. ,
DOI : 10.1016/S0065-3276(08)60381-0
Classical and Quantum Mechanical Hypervirial Theorems, The Journal of Chemical Physics, vol.33, issue.5, pp.1462-99, 1960. ,
DOI : 10.1063/1.1731427
Off???Diagonal Hypervirial Theorem and Its Applications, The Journal of Chemical Physics, vol.38, issue.3, pp.615-99, 1964. ,
DOI : 10.1007/BF01397280
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation???Dissipation Theorem Approach, Journal of Chemical Theory and Computation, vol.7, issue.10, pp.3116-3160, 2011. ,
DOI : 10.1021/ct200501r
Short-range exchange-correlation energy of a uniform electron gas with modified electron-electron interaction, International Journal of Quantum Chemistry, vol.26, issue.6, pp.1047-1077, 2004. ,
DOI : 10.1007/978-3-642-97477-9
URL : https://hal.archives-ouvertes.fr/hal-00981847
Local-spin-density functional for multideterminant density functional theory, Physical Review B, vol.58, issue.15, pp.155111-155142, 2006. ,
DOI : 10.1063/1.1904566
MOLPRO, version 2012.1, a package of ab initio programs, pp.63-86 ,
Localizability of dynamic electron correlation, Chemical Physics Letters, vol.100, issue.2, pp.70-71, 1983. ,
DOI : 10.1016/0009-2614(83)80703-9
Communication: Analytic gradients in the random-phase approximation, The Journal of Chemical Physics, vol.139, issue.8, pp.81101-107, 2013. ,
DOI : 10.1063/1.480430
Derivative studies in hartree-fock and m??ller-plesset theories, International Journal of Quantum Chemistry, vol.50, issue.S13, pp.225-108, 1979. ,
DOI : 10.1002/qua.560160825
On the evaluation of analytic energy derivatives for correlated wave functions, The Journal of Chemical Physics, vol.13, issue.11, pp.5031-108, 1984. ,
DOI : 10.1016/0009-2614(83)80648-4
« Analytical evaluation of gradients in coupled-cluster and many-body perturbation theory ». Geometrical Derivatives of Energy Surfaces and Molecular Properties, p.108, 1986. ,
On the efficient evaluation of analytic energy gradients, Chemical Physics Letters, vol.122, issue.6, pp.585-108, 1985. ,
DOI : 10.1016/0009-2614(85)87275-4
« Analytical Derivative Methods in Quantum Chemistry ». Ab Initio Methods in Quantum Chemistry-II, p.108, 1987. ,
« Ab initio calculation of force constants and equilibrium geometries in polyatomic molecules, Mol. Phys, vol.17, issue.197, p.108, 1969. ,
Mo/ller???Plesset energy derivatives, Møller-Plesset energy derivatives, pp.1560-108, 1988. ,
DOI : 10.1063/1.441359
« Configuration interaction energy derivatives in a fully variational formalism, Theoret. Chim. Acta, vol.75, issue.109, p.108, 1989. ,
A numerically stable procedure for calculating M???ller-Plesset energy derivatives, derived using the theory of Lagrangians, Theoretica Chimica Acta, vol.74, issue.4, pp.227-108, 1989. ,
DOI : 10.1007/BF00532006
Analytical energy gradients, Rapp. tech, vol.108, issue.109, 2003. ,
Analytic energy derivatives for coupled-cluster methods describing excited states: General formulas and comparison of computational costs, International Journal of Quantum Chemistry, vol.12, issue.2, pp.151-108, 2004. ,
DOI : 10.1007/978-94-009-4584-5_4
A second-quantization approach to the analytical evaluation of response properties for perturbation-dependent basis sets, International Journal of Quantum Chemistry, vol.54, issue.2, pp.275-108, 1984. ,
DOI : 10.1063/1.446797
A direct MP2 gradient method, Chemical Physics Letters, vol.166, issue.3, pp.275-115, 1990. ,
DOI : 10.1016/0009-2614(90)80029-D
Force Constants and Dipole???Moment Derivatives of Molecules from Perturbed Hartree???Fock Calculations. I, The Journal of Chemical Physics, vol.49, issue.4, pp.1719-115, 1968. ,
DOI : 10.1103/RevModPhys.32.179
Analytic second derivative techniques for self-consistent-field wave functions. A new approach to the solution of the coupled perturbed hartree-fock equations, Journal of Molecular Structure: THEOCHEM, vol.103, pp.183-115, 1983. ,
DOI : 10.1016/0166-1280(83)85019-2
-MP2 method: application to weakly bound systems, Molecular Physics, vol.108, issue.24, pp.3373-115, 2010. ,
DOI : 10.1063/1.1774975
A comparison of the efficiency and accuracy of the quadratic configuration interaction (QCISD), coupled cluster (CCSD), and Brueckner coupled cluster (BCCD) methods, Chemical Physics Letters, vol.190, issue.1-2, p.116, 1992. ,
DOI : 10.1016/0009-2614(92)86093-W
An efficient reformulation of the closed???shell self???consistent electron pair theory, The Journal of Chemical Physics, vol.15, issue.4, p.116, 1901. ,
DOI : 10.1016/0009-2614(81)80059-0
Analytical energy gradients for local second-order Mo/ller???Plesset perturbation theory, The Journal of Chemical Physics, vol.14, issue.13, pp.5185-117, 1998. ,
DOI : 10.1063/1.464195
Analytical energy gradients for local second-order M??ller???Plesset perturbation theory using density fitting approximations, The Journal of Chemical Physics, vol.121, issue.2, pp.737-117, 2004. ,
DOI : 10.1080/00268977000101561
Theoretical Determination and Analysis of Electronic Charge Distributions, Physica Scripta, vol.15, issue.2, p.119, 1977. ,
DOI : 10.1088/0031-8949/15/2/007
The effect of local approximations on first-order properties from expectation-value coupled cluster theory, Theoretical Chemistry Accounts, vol.21, issue.1, pp.15-119, 2010. ,
DOI : 10.1016/0029-5582(60)90048-1
Geometry optimization of periodic systems using internal coordinates, The Journal of Chemical Physics, vol.18, issue.12, pp.124508-120, 2005. ,
DOI : 10.1107/S0108768198005746
URL : https://hal.archives-ouvertes.fr/hal-00089574
Apriori calculation of molecular properties to chemical accuracy, Journal of Physical Organic Chemistry, vol.17, issue.11, pp.913-121, 2004. ,
DOI : 10.1002/poc.841
Molecular equilibrium structures from experimental rotational constants and calculated vibration???rotation interaction constants, The Journal of Chemical Physics, vol.116, issue.15, pp.6482-122, 2002. ,
DOI : 10.1063/1.473634
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications, Physical Review A, vol.11, issue.3, pp.32502-32536, 2010. ,
DOI : 10.1063/1.1353585
URL : https://hal.archives-ouvertes.fr/hal-00975110
« 12 -Dynamic Properties and Response Theory ». Methods of Molecular Quantum Mechanics, pp.131-139, 1989. ,
« 2 -Response of a System to External Excitations ». Theory of Interacting Fermi Systems, p.131, 1997. ,
Mécanique statistique avancée -Physique statistique des processus irréversibles -7 : Théorie de la réponse linéaire, p. 139. Rapp. tech, p.132, 2004. ,
« 13 -Propagator and Equation-of-Motion Methods ». Methods of Molecular Quantum Mechanics, pp.133-141, 1989. ,
« 10 -Dyson's Equation, Renormalization, RPA and Ladder Approximations ». A Guide to Feynman Diagrams, p.133, 1974. ,
« 3 -Green's Functions and Field Theory (Fermions) ». Quantum Theory of Many-Particle Systems, pp.133-138, 1971. ,
« 15 -Applications to Finite Systems : the Atomic Nucleus ». Quantum Theory of Many-Particle Systems, p.133, 1971. ,
« 3 -General Properties of Green's Functions ». Theory of Interacting Fermi Systems, p.133, 1997. ,
Exchange and Correlation in the Electronic Structure of Solids, from Silicon to Cuprous Oxide : GW Approximation and beyond, Thèse de doct. Ecole Polytechnique, pp.133-135, 2005. ,
URL : https://hal.archives-ouvertes.fr/tel-00125779
Méthodes non-perturbatives en théorie quantique des champs Au-delà du champ moyen, l'approximation de la phase aleatoire, Thèse de doct, p.133, 2002. ,
Application of the Green???s functions method to the study of the optical properties of semiconductors, La Rivista del Nuovo Cimento, vol.49, issue.12, p.133, 1988. ,
DOI : 10.1143/PTP.49.37
Electronic excitations: density-functional versus many-body Green???s-function approaches, Reviews of Modern Physics, vol.41, issue.118, pp.133-138, 2002. ,
DOI : 10.1002/pssb.19700410103
New Method for Calculating the One-Particle Green's Function with Application to the Electron-Gas Problem, Physical Review, vol.121, issue.3A, pp.796-136, 1965. ,
DOI : 10.1103/PhysRev.121.950
The Description of Collective Motions in Terms of Many-Body Perturbation Theory, Proc. Roy. Soc. A, pp.539-136, 1957. ,
DOI : 10.1098/rspa.1957.0106
A Relativistic Equation for Bound-State Problems, Physical Review, vol.76, issue.6, pp.1232-137, 1951. ,
DOI : 10.1103/PhysRev.76.1739
« Complex Integration ». Complex Analysis, An Introduction to the Theory of Analytic Functions of One Complex Variable, pp.145-147, 1979. ,
Molecular interactions by the time-dependent Hartree method, Molecular Physics, vol.2, issue.2, pp.119-151, 1963. ,
DOI : 10.1103/PhysRev.56.340
Correlation Energy Expressions from the Adiabatic-Connection Fluctuation???Dissipation Theorem Approach, Journal of Chemical Theory and Computation, vol.7, issue.10, pp.3116-3160, 2011. ,
DOI : 10.1021/ct200501r
Range-separated density-functional theory with the random-phase approximation: Detailed formalism and illustrative applications, Physical Review A, vol.11, issue.3, pp.32502-32536, 2010. ,
DOI : 10.1063/1.1353585
URL : https://hal.archives-ouvertes.fr/hal-00975110
Closed-shell ring coupled cluster doubles theory with range separation applied on weak intermolecular interactions, The Journal of Chemical Physics, vol.135, issue.8, pp.84119-153, 2011. ,
DOI : 10.1080/00268970010017315
URL : https://hal.archives-ouvertes.fr/hal-00612814
Efficient calculation of the polarizability: a simplified effective-energy technique, The European Physical Journal B, vol.13, issue.9, pp.96-99, 2012. ,
DOI : 10.1103/PhysRevB.13.5188
URL : https://hal.archives-ouvertes.fr/hal-00781225
« Multipole sum rules Ab initio SCF calculations for H 2, Mol. Phys, vol.3, issue.42, pp.629-170, 1981. ,
Quantum-Mechanical Sum Rules, Quantum-Mechanical Sum Rules, pp.1220-170, 1967. ,
DOI : 10.1016/0003-4916(59)90032-6