Quantum modeling of the optical spectra of carbon cluster structural families and relation to the interstellar extinction UV bump

C. Dubosq; F. Calvo; M. Rapacioli; E. Dartois; T. Pino; C. Falvo; A. Simon

doi:10.1051/0004-6361/201937090

Home

All issues

Volume 634 (February 2020)

A&A, 634 (2020) A62

Full HTML

Open Access

Fig. B.4

Open with DEXTER Download original image

Optical absorption spectrum of C₆₀ buckminsterfullerene computed using the TD-DFT(BLYP/pc-2, 350 roots, red) and TD-DFTB (mio set of parameter, 3000 roots, reduced (blue) and full (green) LR matrix) approaches. Each individual band of the fullerene was convoluted by a normalized Lorentzian function with a FWHM of 0.01 eV; intensities are expressed in eV⁻¹.

Current usage metrics show cumulative count of Article Views (full-text article views including HTML views, PDF and ePub downloads, according to the available data) and Abstracts Views on Vision4Press platform.

Data correspond to usage on the plateform after 2015. The current usage metrics is available 48-96 hours after online publication and is updated daily on week days.

Initial download of the metrics may take a while.