Dear Developers,
I would like to be able to extract the four spinor components of an exciton wavefunction in a system with spin-orbit coupling, and the spatial wavefunction component associated with each spinor. I was wondering if there is a method of extracting this information from the BSE output, please?
Many thanks for your help - much appreciated.
All the best,
Will
Spinor components of the exciton wavefunction
Moderators: Davide Sangalli, andrea marini, Daniele Varsano
-
- Posts: 2
- Joined: Tue Aug 11, 2020 5:36 pm
Spinor components of the exciton wavefunction
Will Drake
1st year PhD student
Department of Physics
University of Cambridge
1st year PhD student
Department of Physics
University of Cambridge
- Daniele Varsano
- Posts: 3816
- Joined: Tue Mar 17, 2009 2:23 pm
- Contact:
Re: Spinor components of the exciton wavefunction
Dear Will,
the spinor components in the excitonic wavefunctions are summed up.
If you want to look at each component you need to slightly modify the source:
in ypp/excitons/excitons_WFs.F
you will find:
and you can comment the first or second line for the first and second spinor components respectively.
Best,
Daniele
the spinor components in the excitonic wavefunctions are summed up.
If you want to look at each component you need to slightly modify the source:
in ypp/excitons/excitons_WFs.F
you will find:
Code: Select all
193 wf_vc(neh) = conjg(WF1_ir(1))*WF2_ir(1)
194 if(n_spinor==2) wf_vc(neh) = wf_vc(neh) + conjg(WF1_ir(2))*WF2_ir(2)
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/
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/
-
- Posts: 2
- Joined: Tue Aug 11, 2020 5:36 pm
Re: Spinor components of the exciton wavefunction
Dear Daniele,
That's really helpful, thank you very much.
All the best,
William
That's really helpful, thank you very much.
All the best,
William
Will Drake
1st year PhD student
Department of Physics
University of Cambridge
1st year PhD student
Department of Physics
University of Cambridge