Chemical Physics Letters, Vol.364, No.5-6, 612-615, 2002
Dipole moments in excited state DFT calculations
A comparison is made between dipole moments calculated with and without the relaxation terms in the one-particle density matrix in excited state DFT calculations. It is concluded that there is a significant difference, and that results which do not include relaxation effects should not be used. (C) 2002 Elsevier Science B.V. All rights reserved.