Effects of exchange-correlation functionals on the structure and the photoionization dynamics of Na$_{\mathrm{40\thinspace }}$cluster

Over the years, time-dependent density functional theory has emerged as a powerful tool to study photoionization dynamics of many-electron systems such as atomic clusters [1,2,3]. The accurate prediction of the system's dynamical response to external radiations depends on the accuracy of the form of exchange-correlation functional (xc) used within a density-functional formalism [3]. For spherical Na$_{\mathrm{40}}$ cluster, we apply two well known implementations of xc functional in the framework of time-dependent local density approximation (TDLDA), with the Gunnarsson-Lundqvist parametrization [4] for the correlation term. These are: (i) the electron self-interaction correction (LDA-SIC) by Perdew and Zunger [5] and (ii) the van Leeuwen and Baerends model potential (LDA-LB94) [6]. The results obtained by these two schemes will be compared in determining their effects on the ground state structure and the photoionization properties of the system. [1] E. Runge and E. K. U. Gross, \textit{Phys. Rev. Lett.} \textbf{52}, 997 (1984); [2] Choi \textit{et al}., \textit{Phys. Rev. A} \textbf{95}, 023404 (2017); [3] Onida \textit{et al}., \textit{Rev. Mod. Phys.} \textbf{74}, 601 (2002); [4] O. Gunnarsson and B. I. Lundqvist, \textit{Phys. Rev. B} \textbf{13}, 4274 (1976); [5] J.P. Perdew and A. Zunger, \textit{Phys. Rev. B} \textbf{23}, 5048 (1981); [6] R. van Leeuwen and E. J. Baerends, \textit{Phys. Rev. A}\textbf{ 49}, 2421 (1994).