Can I calculate imaginary frequency electric dipole-magnetic dipole polarizability?
Hello,
I am new to Dalton, and I am in the process of learning the program because of the large variety of properties it can calculate. I am having issues, however, trying to find an option to calculate the specific property I need: the imaginary frequency mixed electric-magnetic dipole polarizability, preferably with TD-DFT, or the Cauchy moments of the same quantity.
I have tried looking into the *C6 module, which I believe would be suited for such calculations, but it seems that the choice of operators there is limited. Moreover, I can only set A and B operator to be the same, is that right?
Alternatively, the *ABALNR module gives a large freedom for the choice of A and B, but I do not see an option for imaginary frequency in general.
An alternative way would be to calculate the optical rotation tensor, which, I believe, contains this response function, but that also seems to be available only for real frequencies.
Is there any way to calculate the imaginary frequency response for A=electric dipole and B=magnetic dipole?
Thank you!