exciton binding energy

Deals with issues related to computation of optical spectra in reciprocal space: RPA, TDDFT, local field effects.

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nrbsh
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Joined: Fri Dec 18, 2015 5:50 pm

exciton binding energy

Post by nrbsh » Mon Dec 21, 2015 8:05 am

Dear all,

I am interested to calculate the exciton binding energy of some different structures (nano and bulk).
My question is that, is it reasonable to ignore the e-h coupling and use BSEmod=resonant or causal for this purpose?
If we ignore the e-h coupling so what is the source of exciton binding energy?

I really appreciate your help in advance.

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Daniele Varsano
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Re: exciton binding energy

Post by Daniele Varsano » Mon Dec 21, 2015 9:47 am

Dear nrbsh,
please fill your signature with your name and affiliation. This is a rule of the forum. You can do it by adding it in your user profile once for all.
About the e-h coupling: there is not a straightforward reason for that. Ignoring the coupling, which is called Tamm-Dancoff approximation, usually it is ok
for bulk and extended structure while it is not a good approximation for finite systems (molecules). Anyway this is something that has to be checked.
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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