[Wien] Regarding calculation of optical properties

[Tran, Fabien]

A few papers about the accuracy of PBE, mBJ, etc. for the electronic structure:
https://aip.scitation.org/doi/10.1063/1.5118863
https://pubs.acs.org/doi/10.1021/acs.jctc.9b00322
https://www.nature.com/articles/s41524-020-00360-0
https://journals.aps.org/prb/abstract/10.1103/PhysRevB.93.115104
https://aip.scitation.org/doi/10.1063/1.5006170

> From: Wien <wien-bounces at zeus.theochem.tuwien.ac.at> on behalf of Mohad Abbasnejad <mohaddeseh.abbasnejad at gmail.com>
> Sent: Saturday, October 17, 2020 1:09 PM
> To: A Mailing list for WIEN2k users
> Subject: [Wien] Regarding calculation of optical properties
>
> Dear experts,
>
> Actually, one of the challenging problems in calculating the optical properties by DFT method (using PBE or mbJ) is its accuracy. So, how is it possible to demonstrate the reliability of the results obtained by this method?
> Any comments would be appreciated.
>
> Regards,
> Mohaddeseh