Is the atomic quadrupole moment of a carbon atom in graphene zero?: The case for a rational definition of the properties of atoms in a molecule

Devin M. Mulvey, Kenneth D. Jordan, Alston J. Misquitta

It is generally assumed that the carbon atoms of graphitic samples and their finite analogs have sizable quadrupole moments, with the out-of-plane component ($Q_{20}^{\mathrm{C}}$ in tr…