Application of density functional theory to line broadening: Cs atoms in liquid helium

Nakatsukasa, Takashi; Yabana, Kazuhiro; Bertsch, George F.

Application of density functional theory to line broadening: Cs atoms in liquid helium

Authors

Nakatsukasa, Takashi

Yabana, Kazuhiro

Bertsch, George F.

Description

We test the applicability of density functional theory (DFT) to spectral perturbations taking an example of a Cs atom surrounded by superfluid helium. The atomic DFT of helium is used to obtain the distribution of helium atoms around the impurity atom, and the electronic DFT is applied to the excitations of the atom, averaging over the ensemble of helium configurations. The shift and broadening of the D1 and D2 absorption lines are quite well reproduced by theory, suggesting that the DFT may be useful for describing spectral perturbations in more complex environments.
14 pages, 5 figures, RevTex4