Chemical Physics Letters, Vol.380, No.3-4, 486-487, 2003
Comment on'characterizing unpaired electrons from one-particle density matrix' [M. Head-Gordon, Chem. Phys. Lett. 372 (2003) 508-511]
A recent theoretical study published in this journal has proposed a new definition of the unpaired electron density in molecular systems. This comment attempts to clarify the difference between the concept reported there and that of 'effectively' impaired electron density. (C) 2003 Elsevier B.V. All rights reserved.