Exciton recombination/dissociation rate

[Dhanjit]

Dear developers,
Is there any way in Yambo to calculate the exciton recombination or dissociation rates?

[palful]

Dear Dhanjit,

Yes it is possible by using the latest version of yambopy, the python layer for yambo: https://wiki.yambo-code.eu/wiki/index.p ... in_Yambopy

There is not yet a written tutorial on the yambo wiki because it's a very new development, however, if you are comfortable with python, there is indeed a tutorial script in the directory `tutorial/radiative_lifetimes` of the yambopy package.

Before you check that, if you never used yambopy before, I suggest first following this tutorial on the wiki to familiarise yourself with the package: https://wiki.yambo-code.eu/wiki/index.p ... _databases

Best,
Fulvio

[Dhanjit]

Dear Dr. Paleari,
Thank you for the information reply.
I will go through the documents for yambopy.

[Dhanjit]

Dear Developers,
We can calculate the average electron–hole density in Yambo, which helps visualize the spatial distribution of electrons and holes in a system. Is it also possible to compute the effective radius of excitons within Yambo?

[Daniele Varsano]

Dear Dhanjit,

it is not possible to calculate it automatically, this is because hydrogenic model often does not apply. You can plot the excitonic wave function in real space and extract the radius/radii from there.

Best,
Daniele

[Dhanjit]

Dear Daniele,
Thank you for the swift response and information.