Optical response of C60 fullerene from a Time Dependent Thomas Fermi approach

TL;DR

This paper investigates the optical properties of C60 fullerenes using a Time Dependent Thomas Fermi approach, successfully reproducing experimental resonances and analyzing quantum effects and resonance nature.

Contribution

It introduces a TD Thomas Fermi method within the jellium model to study electron dynamics in C60, aligning well with experimental data and exploring quantum corrections.

Findings

Reproduces experimental optical resonances at 20 eV and 40 eV

Analyzes the impact of exchange-correlation and gradient corrections

Studies the nature of the second resonance through transition densities

Abstract

We study the collective electron dynamics in C60 clusters within the Time Dependent Thomas Fermi method in the frame of jellium model. The results regarding the optical spectrum are in good agreement with the experimental data, our simulations being able to reproduce both resonances from 20eV and 40eV . We compare also, the results with those from other theoretical approaches and investigate the implications of quantum effects including exchange-correlation corrections, or gradient corrections from a Weizsacker term. The nature of the second resonance is studied using transition densities and analysing the probability current amplitudes.