Effect of C$_{60}$ giant resonance on the photoabsorption of encaged atoms

TL;DR

This study investigates how the giant resonance of C60 influences the photoabsorption spectra of encaged Ne, Ar, and Xe atoms, revealing strong oscillations caused by energy transfer mechanisms.

Contribution

It introduces a time-dependent density functional theory approach to analyze photoabsorption in encaged atoms, highlighting the role of intershell coupling during the C60 giant resonance.

Findings

Strong oscillations in photoabsorption spectra inside the C60 giant resonance

Oscillations caused by energy transfer from C60 valence electrons to photoelectrons

Intershell coupling explains the observed spectral features

Abstract

The absolute differential oscillator strengths (DOS's) for the photoabsorption of the Ne, Ar, and Xe atoms encapsulated in the C$_{60}$ have been evaluated using the time-dependent-density-functional-theory, which solves the quantum Liouvillian equation with the Lanczos chain method. The calculations are performed in the energy regions both inside and outside the C$_{60}$ giant resonance. The photoabsorption spectra of the atoms encaged in the C$_{60}$ demonstrate strong oscillations inside the energy range of the C$_{60}$ giant resonance. This type of oscillation cannot be explained by the confinement resonance, but is due to the energy transfer from the C$_{60}$ valence electrons to the photoelectron through the intershell coupling.