I am interested in finding frequency-dependent dielectric constants by using simulation methods.
I have known that the relationship between the dielectric constant and the external electric field can be expressed by the Clausius–Mossotti equation, and this equation shows that the static dielectric constant can be predicted by the known values of the polarizability and volume of the polymer material (the polarizability is calculated by using Gaussian software).
[reference] Tang, Z., Chang, C., Bao, F., Tian, L., Liu, H., Wang, M., ... & Xu, J. (2021). Feasibility of Predicting Static Dielectric Constants of Polymer Materials: A Density Functional Theory Method. Polymers, 13(2), 284.
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And in the Gaussian manual, I also see that the frequency-dependent polarizability may be calculated by using keywords 'CPHF=RdFreq' and setting different frequencies.
I would like to known that the combination of Clausius–Mossotti equation and the keyword 'CPHF=RdFreq' can calculate frequency-dependent dielectric constants?
Is it possible to calculate many frequencies at same time (for example 400 to 800 nm)?
Or is there another formula available in the literature to calculate the frequency-dependent dielectric constant by using Gaussian software?
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