the triplet exciton

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

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pangrt
Posts: 26
Joined: Thu Jun 18, 2020 1:38 pm

the triplet exciton

Post by pangrt » Sat Nov 20, 2021 12:00 pm

Dear developers,
I want to calculate the triplet exciton with Yambo 5.0.4, and what I need to set is ”BSENGexx= 0 eV” and leave other parameters the same as the usual singlet one?
Thanks!
Best
Rongtian
RongTianPang, Inner Mongolia University, Hohhot, China :)

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Daniele Varsano
Posts: 3773
Joined: Tue Mar 17, 2009 2:23 pm
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Re: the triplet exciton

Post by Daniele Varsano » Sat Nov 20, 2021 2:29 pm

Dear Rongtian,

yes, that's correct!

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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