The calculation of frequency-dependent polarizabilities using current density functional theory

The formalism of Colwell, Handy and Lee for the calculation of frequency-dependent properties using: current density functional theory has been implemented using local, non-local or hybrid functionals. This theory has been applied to the calculation of frequency-dependent polarizabilities and dispersion coefficients in a variety of small molecules. The results obtained are in good agreement with experimental data. The effect of the terms which depend upon the current density is found to be small. (C) 1997 Elsevier Science B.V.