If the block key AORESPONSE is used, by default, the polarizability is calculated. This can be modified using one of the keys below.
AORESPONSE
OPTICALROTATION
VELOCITYORD
MAGNETICPERT
FREQUENCY Nfreq freq1 freq2 ... freqN units
LIFETIME width
ALDA|XALPHA
END
OPTICALROTION
Specify OPTICALROTION to calculate optical rotatory dispersion spectrum instead of polarizabilities.
VELOCITYORD
This option should be used instead of OPTICALROT with GIAO if the finite lifetime effects need to be taken into account (LIFETIME option).
MAGNETICPERT
Calculate static or time-dependent magnetizability.
FREQUENCY Nfreq freq1 freq2 ... freqN units
To calculate time-dependent properties, one needs to specify frequency of perturbation field. Here Nfreq specifies the number of frequencies that follow. The last item on the line specifies the units and is one of EV, HARTREE, ANGSTROM.
LIFETIME width
Specify the resonance peak width (damping) in Hartree units.
ALDA|XALPHA
If ALDA is specified the VWN kernel is used. This option is the default. If ALPHA is specified the Xα kernel is used instead of the default VWN one.
