Yambo Community Forum

Hi,

I'm new in YAMBO and I which if you can give me an idea about how I can do the singlet-triplet splitting calculation for graphene nanostructures.

Thanks.


Ouarrad Hala
PhD student of the Mohammed V University, Morocco.

Dear Ourrad,
it is possible to calculate singlet and triplet excitations by solving the BSE equation.
By default, Yambo calculates singlet excitations and I invite you to have a look to the tutorials to understand how to set up a GW/BSE calculations. Next triplet excitations are accessible by setting to zero the exchange part of the kernel: This is explained for instance in M. Rohlfing and SG Louie PRB 62, 4927 (2000), Eq. 25

Best,

Daniele

Dear Professor,

Thank you so much.

Bests,



Ouarrad Hala,
PhD student of the Mohammed V University, Morocco.