Static dipole polarizabilities of small neutral carbon clusters Cn (n<=8)
Abstract
A theoretical study of the static dipole polarizability of carbon clusters Cn with n<=8 has been presented. The dipole polarizabilities have been calculated using density functionals of the hybrid type in combination with the finite field method. Large basis sets have been investigated in order to obtain reliable results. It has been shown that the dipole polarizabilities could be an important quantity for the identification of clusters with different numbers of atoms and even for the separation of isomers. In particular, it is predicted that the jet formed by the two isomers of C6, cyclic and linear, will split up in the presence of an electric field.
- Publication:
-
Physical Review A
- Pub Date:
- November 1998
- DOI:
- 10.1103/PhysRevA.58.4232
- Bibcode:
- 1998PhRvA..58.4232F
- Keywords:
-
- 36.40.Cg;
- Electronic and magnetic properties of clusters