Y. J. Park, C. L. Choi, S. Zhang, and . Cheong, Chain Cuprate, Physical Review Letters, vol.98, issue.5, p.57601, 2007.
DOI : 10.1103/PhysRevLett.78.4857

-. Drechsler, J. Málek, J. Richter, A. S. Moskvin, A. A. Gippius et al., ???, Physical Review Letters, vol.94, issue.3, p.39705, 2005.
DOI : 10.1088/0953-8984/7/45/016

A. Masuda, A. Zheludev, M. Bush, A. Markina, and . Vasiliev, Reply:, Physical Review Letters, vol.94, issue.3, p.39706, 2005.
DOI : 10.1103/PhysRevB.70.020406

S. Moskvin and S. Drechsler, oxides, Physical Review B, vol.16, issue.2, p.24102, 2008.
DOI : 10.1038/nmat1236

M. Furukawa, S. Sato, and . Onoda, Chiral Order and Electromagnetic Dynamics in One-Dimensional Multiferroic Cuprates, Physical Review Letters, vol.113, issue.25, p.257205, 2010.
DOI : 10.1103/PhysRevLett.104.237207

N. Katsura, A. V. Nagaosa, and . Balatsky, Spin Current and Magnetoelectric Effect in Noncollinear Magnets, Physical Review Letters, vol.53, issue.5, p.57205, 2005.
DOI : 10.1103/PhysRevLett.90.167204

URL : http://arxiv.org/pdf/cond-mat/0412319

. Mostovoy, Ferroelectricity in Spiral Magnets, Physical Review Letters, vol.19, issue.6, p.67601, 2006.
DOI : 10.1103/PhysRevLett.94.137205

J. Calzado, J. Cabrero, J. P. Malrieu, and R. Caballol, Analysis of the magnetic coupling in binuclear complexes. I. Physics of the coupling, The Journal of Chemical Physics, vol.1956, issue.7, p.2728, 2002.
DOI : 10.1021/ic00236a032

J. Calzado, J. Cabrero, J. P. Malrieu, and R. Caballol, CI and DFT calculations, The Journal of Chemical Physics, vol.102, issue.10, p.3985, 2002.
DOI : 10.1063/1.475636

J. Calzado, C. Angeli, D. Taratiel, R. Caballol, and J. Malrieu, Analysis of the magnetic coupling in binuclear systems. III. The role of the ligand to metal charge transfer excitations revisited, The Journal of Chemical Physics, vol.124, issue.4, p.44327, 2009.
DOI : 10.1103/PhysRevB.68.125103

URL : https://hal.archives-ouvertes.fr/hal-00865814

O. Miralles, R. Castell, J. Caballol, and . Malrieu, Specific CI calculation of energy differences: Transition energies and bond energies, Chemical Physics, vol.172, issue.1, p.33, 1993.
DOI : 10.1016/0301-0104(93)80104-H

C. Bloch, Sur la th??orie des perturbations des ??tats li??s, Nuclear Physics, vol.6, p.329, 1958.
DOI : 10.1016/0029-5582(58)90116-0

A. M. Maurice, N. Pradipto, R. Guihéry, C. Broer, and . De-graaf, Antisymmetric Magnetic Interactions in Oxo-Bridged Copper(II) Bimetallic Systems, Journal of Chemical Theory and Computation, vol.6, issue.10, p.3092, 2010.
DOI : 10.1021/ct100329n

URL : https://hal.archives-ouvertes.fr/hal-00864006

-. Pradipto, R. Maurice, N. Guihéry, C. De-graaf, and R. Broer, First-principles study of magnetic interactions in cupric oxide, Physical Review B, vol.85, issue.1, p.14409, 2012.
DOI : 10.1021/ic200506q

URL : https://hal.archives-ouvertes.fr/hal-00864154

I. De-graaf, P. R. De, F. Moreira, and . Illas, Magnitude of the First and Second Neighbour Magnetic Interactions in the Spin Chain Compound Li2CuO2, International Journal of Molecular Sciences, vol.14, issue.4, p.28, 2000.
DOI : 10.1103/PhysRevLett.79.1539

I. De-graaf, P. R. De, F. Moreira, O. Illas, A. Iglesias et al., calculations to macroscopic simulations, Physical Review B, vol.77, issue.107, p.14448, 2002.
DOI : 10.1007/BF01120130

L. Aquilante, N. De-vico, G. Ferre, P. A. Ghigo, P. Malmqvist et al., MOLCAS 7: The Next Generation, Journal of Computational Chemistry, vol.104, issue.331, p.224, 2010.
DOI : 10.1080/00268970600662390

URL : https://hal.archives-ouvertes.fr/hal-01460198

K. Doll and N. M. Harrison, Chlorine adsorption on the Cu(111) surface, Chemical Physics Letters, vol.317, issue.3-5, p.282, 2000.
DOI : 10.1016/S0009-2614(99)01362-7

URL : http://arxiv.org/pdf/cond-mat/9911481v1.pdf

L. Martin and F. Illas, Antiferromagnetic Exchange Interactions from Hybrid Density Functional Theory, Physical Review Letters, vol.45, issue.8, p.1539, 1997.
DOI : 10.1103/PhysRevA.38.3098

N. B. Maynau and . Amor, CASDI Suite of Programs

L. Hozoi, P. Siurakshina, J. Fulde, . Van-den, and . Brink, Ab Initio determination of Cu 3d orbital energies in layered copper oxides, Scientific Reports, vol.11, issue.462, p.65, 2011.
DOI : 10.1088/1367-2630/11/2/023023

H. Huang, N. A. Bogdanov, L. Siurakshina, P. Fulde, J. Van-den et al., correlated materials, Physical Review B, vol.84, issue.23, p.235125, 2011.
DOI : 10.1143/JPSJ.72.2165

O. Roos, R. Lindh, P. A. Målmqvist, V. Veryazov, and P. O. Widmark, New Relativistic ANO Basis Sets for Transition Metal Atoms, The Journal of Physical Chemistry A, vol.109, issue.29, p.6575, 2005.
DOI : 10.1021/jp0581126

T. Moriya, Anisotropic Superexchange Interaction and Weak Ferromagnetism, Physical Review, vol.4, issue.1, p.91, 1960.
DOI : 10.1103/PhysRev.117.635

D. Buckingham, P. Pyykko, J. B. Robert, and L. Wiesenfeld, Symmetry rules for the indirect nuclear spin-spin coupling tensor revisited, Molecular Physics, vol.40, issue.1, p.177, 1982.
DOI : 10.1080/00268978000101431