
April 25, 2014 15:23 PSP Book - 9in x 6in 07-Rashid-A.-Ganeev-c07
Single Active Electron Simulation of Harmonic Generation in C
60
253
point of view, fullerenes are not only large molecules but also
the smallest clusters with metallic properties, which can still be
simulated directly in time-dependent phenomena, such as HHG.
C
60
is known to have 240 valence electrons, 200 of them are
localized σ -electrons and remaining 40 are delocalized π-electrons,
but in a numerically exact calculation, they are all important.
This large number of electrons makes any direct numerical time-
dependent Schr
¨
odinger equations (TDSE) solutions impossible. The
time-dependent ...