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Photoionization of two buckyonions, C$_{60}$@C$_{240}$ and C$_{20}$@C$_{60}$,is investigated by means of time-dependent density-functional theory (TDDFT).The TDDFT-based photoabsorption spectrum of C$_{60}$@C$_{240}$, calculated in abroad photon energy range, resembles the sum of spectra of the two isolatedfullerenes, thus illustrating the absence of strong plasmonic coupling betweenthe fullerenes which was proposed earlier. The calculated spectrum of thesmaller buckyonion, C$_{20}$@C$_{60}$, differs significantly from the sum ofthe cross sections of the individual fullerenes because of strong geometricaldistortion of the system. The contribution of collective electron excitationsarising in individual fullerenes is evaluated by means of plasmon resonanceapproximation (PRA). An extension of the PRA formalism is presented, whichallows for the study of collective electron excitations in multishellfullerenes under photon impact. An advanced analysis of photoionization ofbuckyonions, performed using modern computational and analytical approaches,provides valuable information on the response of complex molecular systems tothe external electromagnetic field.

the european physical journal. d, atomic, molecular and optical physics/the european physical journal. d, atomic, molecular, optical and plasma physics

Photoionization of multishell fullerenes studied by ab initio and model approaches