Exploring the effects of exchange-correlation functionals on the photoionization dynamics of Na$_{\mathrm{x}}$ = $(x=20, 40 and 92)$ clusters

The photodynamics of metal clusters modelled as super-atoms can be studied using a linear-response density-functional method known as the time-dependent local-density approximation (TDLDA) [1]. In this method, the proper choice of exchange-correlation functional (xcf), that appropriately models bound and continuum electron's long-distance properties, is crucial. In the current work, two approximation schemes of xcf with Gunnarsson-Lundqvist parametrization [2] are employed: (i) the electron self-interaction correction scheme [3] and (ii) the Leeuwen-Baerends (LB94) model based on the electron density-gradient [4]. Results determine the role of xcf in the ground state and photoionization description of Na$_{\mathrm{x}}$ (x$=$20, 40 and 92) clusters. Comparisons of the ionizing residue of plasmon resonances obtained by these xcf schemes with available experimental data will be presented. \textbf{References } [1] J. Choi et al., Phys. Rev. A 95, 023404 (2017). [2] O. Gunnarsson and B. I. Lundqvist, Phys. Rev. B 13, 4274 (1976). [3] J.P. Perdew and A. Zunger, Phys. Rev. B 23, 5048 (1981). [4] R. van Leeuwen and E. J. Baerends, Phys. Rev. A 49, 2421 (1994).