Calculation of X-ray Magneto-Chiral Dichroism (M/F)

id="offer-description" class="ecl-u-type-heading-2 ecl-u-mt-none ecl-u-mb-l">Offer Description The IMPMC specializes in the calculation of X-ray absorption cross sections and related dichroics, using either mono-electronic DFT approaches in real or reciprocal space, or multi-electronic approaches based on the ligand field model. These calculations allow us to obtain information such as the orientation of molecules deposited on surfaces (X-ray Natural Linear Dichroism or XNLD), the crystal field parameters acting on specific ions, the quadrupole moments of the electronic distribution, the chirality (X-ray Natural Circular Dichroism or XNCD) as well as the orientation of magnetic spin and orbit moments (X-ray Magnetic Circular Dichroism or XMCD). The researcher in post-doctoral internship will have to calculate the XMChD response of chiral systems experimentally studied within the LUMINESS project. This will require combining all the elements used for XNLD, XNCD and XMCD calculations. Although our team already has all the fundamental ingredients that we helped to forge, the XMChD response has never been calculated until now; indeed, XMChD signals are at least an order of magnitude smaller than XNCD signals. In addition to the calculation of the XMChD cross-sections, the post-doctoral researcher must apply the sum rules linking the integral of the XMChD signals to the orbital angular momentum anapole. Although known for some time, these sum rules will be implemented here in a qu