ilakovac-casses@upmc.fr 1 F, Giustino, Rev. Mod. Phys, vol.89, p.15003, 2017. ,
Superconductivity at 2.8 K and 1.5 kbar in .kappa.-(BEDT-TTF)2Cu2(CN)3: the first organic superconductor containing a polymeric copper cyanide anion, Inorganic Chemistry, vol.30, issue.12, p.2586, 1991. ,
DOI : 10.1021/ic00012a005
Study, Physical Review Letters, vol.18, issue.6, p.67004, 2009. ,
DOI : 10.1143/JPSJ.76.053705
Electronic Ferroelectricity and Frustration, Journal of the Physical Society of Japan, vol.79, issue.1, p.11010, 2010. ,
DOI : 10.1143/JPSJ.79.011010
Nature letters 436, J.-P. Pouget, and E. Canadell, Phys. Rev. B, vol.85, issue.10, 1038. ,
X organic conductors, Journal of Physics: Condensed Matter, vol.27, issue.46, p.465702, 2015. ,
DOI : 10.1088/0953-8984/27/46/465702
URL : https://hal.archives-ouvertes.fr/hal-00592154
-phase BEDT-TTF salts, Physical Review B, vol.18, issue.24, p.245103, 2012. ,
DOI : 10.1103/PhysRevB.72.014516
Optimized Finite Difference Method for the Full-Potential XANES Simulations: Application to Molecular Adsorption Geometries in MOFs and Metal???Ligand Intersystem Crossing Transients, Journal of Chemical Theory and Computation, vol.11, issue.9, pp.4512-4521, 2015. ,
DOI : 10.1021/acs.jctc.5b00327
URL : https://hal.archives-ouvertes.fr/hal-01195926
Vibrational structure in the carbon 1s ionization of hydrocarbons: Calculation using electronic structure theory and the equivalent-cores approximation, The Journal of Chemical Physics, vol.109, issue.3, p.1041, 1998. ,
DOI : 10.1103/PhysRevLett.79.3617
: Comprehensive explanation of the electrodynamic response in a spin-liquid compound, Physical Review B, vol.18, issue.8, p.81201, 2016. ,
DOI : 10.1103/PhysRevB.85.195118
Multidimensional transition-state theory calculations for nuclear dynamics of core-excited molecules, Physical Review A, vol.116, issue.103, p.32510, 2004. ,
DOI : 10.1021/j100357a035
Hybrid density-functional theory calculations of near-edge x-ray absorption fine-structure spectra: Applications on benzonitrile in gas phase, Physical Review A, vol.1956, issue.103, p.22511, 2005. ,
DOI : 10.1103/PhysRevA.43.6053
excited states, Physical Review A, vol.14, issue.103, p.12516, 2008. ,
DOI : 10.1103/PhysRevA.43.6053
absorption spectra of the acrylonitrile molecule, Physical Review A, vol.63, issue.6, p.62521, 2012. ,
DOI : 10.1063/1.1397797
Measured by Resonant Inelastic X-Ray Spectroscopy, Physical Review Letters, vol.115, issue.9, p.96404, 2015. ,
DOI : 10.1103/PhysRevLett.105.157006
probed by resonant inelastic x-ray scattering, Physical Review B, vol.94, issue.19, p.195131, 2016. ,
DOI : 10.1103/PhysRevB.89.035201
Atomic Data and Nuclear Data Tables 77, pp.1-56, 2001. ,
Coherent excitation of vibrational wave functions observed in core hole decay spectra of O2, N2 and CO, Journal of Electron Spectroscopy and Related Phenomena, vol.67, issue.2, p.261, 1994. ,
DOI : 10.1016/0368-2048(93)02050-V
Towards the experimental determination of the fundamental microscopic parameters of organic ion-radical compounds, Solid State Communications, vol.31, issue.2, p.93, 1979. ,
DOI : 10.1016/0038-1098(79)90175-3
(BEDT-TTF ?? bis(ethylene-dithio)tetrathiafulvalene): a comparison of high-pressure infrared reflectivity and Raman scattering experiments, Journal of Physics: Condensed Matter, vol.15, issue.30, p.5315, 2003. ,
DOI : 10.1088/0953-8984/15/30/313
organic superconductor, Physical Review B, vol.250, issue.21, p.14476, 2000. ,
DOI : 10.1016/0370-1573(94)00086-I