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

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.

References in corpus (3)

• Quantum ESPRESSO: a modular and open-source software project for quantum simulations of materials
• Turbo charging time-dependent density-functional theory with Lanczos chains
• Photoabsorption spectrum of the Xe@C${}_{60}$ endohedral fullerene

Cited by in corpus (2)

• Effects of exchange-correlation potentials on the density functional description of C_60 versus C_240 photoionization
• Quantum and classical features of the photoionization spectrum of C${}_{60}$