Resonant inter-Coulombic decay (ICD) of innershell photoexcitations in halogen@C$_{\mathrm{60}}$ endohedral molecules

Considering halogen@C$_{\mathrm{60}}$ endohedral molecules, we study the transfer-decay of photoinduced innershell vacancies of the atom or the fullerene through the ``other'' ionization continuum, that is, respectively, \textit{via} the fullerene or atomic continuum. This process, driven by the Coulomb-type long range coupling between the members of the `dimer' and augmented by various degrees of wavefunction hybridizations, is generally known as the inter-Coulombic decay (ICD). A density functional study is employed to model the ground state structure of the molecules and their ionization response to the radiation field is treated in a linear response framework [1]. Previous predictions of ICD based were reported for various noble gas endofullerenes [2,3]. The current research, on the other hand, investigates effects of open-shell structures of the halogen atoms on ICD resonances. Focus has also been given to observe how the ICD features evolve when a fullerene electron fills the halogen outer vacancy. Detailed results will be presented in the conference. [1] Madjet \textit{et al}., \textit{Phys. Rev. A} \textbf{81}, 013202 (2010); [2] Javani \textit{et al}., \textit{Phys. Rev. A} \textbf{89}, 063420 (2014); [3] De \textit{et al.}, \textit{J. Phys. B} \textbf{49}, 11LT01 (2016).