Yambo Community Forum

Posted: **Tue Feb 16, 2016 5:00 pm**

Dear yambo developer,

I interested to calculate the triplet exciton in a non polarized system.
Do I need to run DFT for spin resolve system?

Best regards,
Zara
Tehran University

Posted: **Tue Feb 16, 2016 9:00 pm**

Dear Zara,
No, in principle it is not needed.
You can calculate triplet excitation in BSE simply not including the exchange part in the kernel.
This can be done by setting:

Code: Select all

BSENGexx= 0

and eventually including the coupling term.
See eg: M. Rohlfing and SG. Louie PRB 62 4927 (2000)

Best,
Daniele

Yambo Community Forum

triplet excitons

triplet excitons

Re: triplet excitons