Tags: plasomics

Papers (1-1 of 1)

  1. Optical absorption in boron clusters B6 and B6+ : A first principles configuration interaction approach

    07 Sep 2012 | | Contributor(s):: Ravindra L Shinde

    The linear optical absorption spectra in neutral boron cluster B6 and cationic B6+ 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...