Chemical Physics Letters, Vol.380, No.3-4, 488-489, 2003
Reply to comment on'characterizing unpaired electrons from the one-particle density matrix'
The different behavior of two definitions of the unpaired electron distribution in a molecule for small and large natural orbital occupation numbers are contrasted based on theory and three examples: O-2 dissociation, the triplet state of He, and benzene. (C) 2003 Elsevier B.V. All rights reserved.