Ab initio methods for lanthanide-based quantum matter (magnetic and optical properties)
See our latest work on the description of the non-covalent component of the Ln-ligand coordination bonds via an original ab initio multireference method based on non-orthogonal group functions.
Measuring Toroidal moments in molecular spin rings
See our arxive paper currently under review, about finite-temperature toroidal polarization amenable to direct observation in a crystal of Fe10Dy10 molecular rings. See also another arxive paper currently under review proposing two pulsed-EPR experiments to prepare and observe a toroidal polarization in a crystal of single molecule toroics.
Magnetic anisotropy and 4f charge distribution
See our Nature Chemistry paper on a theory-experiment collaboraiton leading to the first detection of 4f-electron density distribution in two Dy-based Single-Ion Magnets from synchrotron X-ray diffraction data.
Paramagnetic NMR spectroscopy and chiral discrimination