Excited states of alkali atoms in liquid4He from density functional calculations

Atomic and molecular defects in solid 4He

“…The trapping site structures of Na, Cs, and Al in liquid He were also modeled using Monte Carlo and density functional techniques treating helium atoms as individual objects [47,59,60]. The results of these simulations for the spherically symmetric ground states of alkalis are very close to that of a bubble model calculations.…”

“…The results of these simulations for the spherically symmetric ground states of alkalis are very close to that of a bubble model calculations. The helium density profiles at the bubble interface obtained in [47] are shown in Fig. 5.…”

“…The 1s state in the deformed excited state bubble is shifted to a higher energy which still lies 290 cm −1 below the 1p state. The problem of non-spherical atomic bubbles was addressed in several papers [57,47,54] in which fluorescence spectra from excited atomic states with non-spherical orbitals were calculated. For the 6P 3/2 state of Cs and the 3P state of Na [47] a strong deformation of the bubble and a large increase of the He density in the regions of reduced electron density of the dopant (two dimples of the apple-shaped 6P 3/2 orbitals and a nodal plane of the dumbbell-shaped 3P z orbital) were obtained.…”

“…Quadrupolar atomic bubble oscillations were first considered in [46,47] for explaining the characteristic doubly-shaped contour of the nS 1/2 → nP 3/2 excitation line of Rb and Cs in superfluid He. The splitting of the excited nP 3/2 states is due to the same mechanism as discussed in Sec.…”

Electronically excited rubidium atom in a helium cluster or film

“…Since the simple pair potential approximation is not valid in this case, the answer is not obvious. Theoretical works dealing with excited alkali atoms in liquid helium, 19,20 in solid helium, 10,[21][22][23] in 4 He cold gas 24,25 as well as in clusters 26 are available in the literature. They focus on determining the shape of the cavity in the liquid and the exciplex structures in solid and gas.…”