How to output the BSE exciton transiton dipole?

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.

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plasmon
Posts: 28
Joined: Thu Aug 23, 2018 9:18 am
Location: Fudan University, Shanghai, China
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How to output the BSE exciton transiton dipole?

Post by plasmon » Sat Jun 13, 2020 8:06 am

Dear Developers,

Is it possible to output the BSE exciton transition dipole when calculating the light absorption?

Thank you!

Hao Zhang
Dr. Hao Zhang
Department of Optical Science and Engineering, Fudan University,Shanghai 200433, China
http://homepage.fudan.edu.cn/zhanghao/

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Daniele Varsano
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Joined: Tue Mar 17, 2009 2:23 pm
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Re: How to output the BSE exciton transiton dipole?

Post by Daniele Varsano » Sat Jun 13, 2020 9:19 am

Dear Hao Zhang,
please have a look to this thread,
viewtopic.php?p=7783#p7783

you can find a python script to extract the transition dipoles. From the dipoles, you can then evaluate the BSE residuum by weighting them with the BSE eigenvalues contained in the strength output (to be normalized).

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/

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