Relativistic time-depending density functional theory and excited states
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| Ossama Kullie | |
| Université de Strasbourg | |
| I present a (time-dependent) density functional study of the low-lying excited states as well the ground states of the zinc dimer Zn2, The performed all electrons calculations using time-depended density functional with a relativistic 4-component-, and spin-free-Hamiltonian. We introduce the key concepts of the statics and time-dependent density functional, the linear response in the relativistic domain as implemented in DIRAC-Package. The results show comparison between different DFT approximations, and some efficient correction scheme for long-range behavior important for higher excited states. |