Optical matrix elements

Deals with issues related to computation of optical spectra, in RPA (-o c) or by solving the Bethe-Salpeter equation (-o b). Includes local field effects, excitons, etc.

Moderators: Davide Sangalli, andrea marini, Daniele Varsano, andrea.ferretti, myrta gruning, Conor Hogan

User avatar
Daniele Varsano
Posts: 2723
Joined: Tue Mar 17, 2009 2:23 pm
Contact:

Re: Optical matrix elements

Post by Daniele Varsano » Tue Dec 17, 2019 3:42 pm

Dear Shudong,
double-check that you extracted the correctly the dipole moments, next if the results are not in agreement in the literature, maybe you want to consider to write to the authors.

Best,
Daniele
Dr. Daniele Varsano
S3-CNR Institute of Nanoscience and MaX Center, Italy
MaX - Materials design at the Exascale
http://www.nano.cnr.it
http://www.max-centre.eu/

Post Reply