TY  - JOUR
A1  - Klamroth, Tillmann
A1  - Nest, Mathias
T1  - Ultrafast electronic excitations of small sodium clusters and the onset of electron thermalization
N2  - In this paper we report simulations of the ultrafast laser excitation and relaxation of the correlated valence electrons of a Na-8 cluster. The aim is twofold: first, while the total energy stays constant when the exciting laser pulse is over, we observe that the entropy computed from the reduced one electron density matrix rises on a much longer time scale. We discuss whether this can be understood as the onset of the thermalization of a finite system. Second, we describe this process with eight different methods of wavefunction-based electronic structure theory, which have been adapted for an explicitly time-dependent description. Their respective advantages and limitations for the simulation of the excitation and subsequent relaxation are explained.
Y1  - 2009
UR  - http://pubs.rsc.org/en/Journals/JournalIssues/CP
U6  - https://doi.org/10.1039/B813619j
SN  - 1463-9076
ER  -