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The linear optical absorption spectra in neutral boron cluster B$_{6}$ andcationic B$_{6}^{+}$ are calculated using a first principles correlatedelectron approach. The geometries of several low-lying isomers of theseclusters were optimized at the coupled-cluster singles doubles (CCSD) level oftheory. With these optimized ground-state geometries, excited states ofdifferent isomers were computed using the singles configuration-interaction(SCI) approach. The many body wavefunctions of various excited states have beenanalysed and the nature of optical excitation involved are found to be ofcollective, plasmonic type.

the european physical journal. d, atomic, molecular and optical physics/the european physical journal. d, atomic, molecular, optical and plasma physics

Optical absorption in boron clusters B$_{6}$ and B$_{6}^{+}$ : A first principles configuration interaction approach