1 research outputs found
Optical absorption in boron clusters B and B : A first principles configuration interaction approach
The linear optical absorption spectra in neutral boron cluster B and
cationic B are calculated using a first principles correlated
electron approach. The geometries of several low-lying isomers of these
clusters were optimized at the coupled-cluster singles doubles (CCSD) level of
theory. With these optimized ground-state geometries, excited states of
different isomers were computed using the singles configuration-interaction
(SCI) approach. The many body wavefunctions of various excited states have been
analysed and the nature of optical excitation involved are found to be of
collective, plasmonic type.Comment: 22 pages, 38 figures. An invited article submitted to European
Physical Journal D. This work was presented in the International Symposium on
Small Particles and Inorganic Clusters - XVI, held in Leuven, Belgiu