Re: Can exciton wavefunction plotted via ypp be periodic?
Posted: Tue Apr 29, 2025 4:58 pm
Dear Daniele,
I placed the hole in a region where we have significant electronic density — specifically on the bridge — and not at a nodal point of the valence wavefunction.
To compute the exciton wavefunction, I repeated the calculation with the hole in the same position but slightly displaced along the z-axis (z = 0.01) to check the sensitivity.
The result is the same.
Best regards,
Reza
I placed the hole in a region where we have significant electronic density — specifically on the bridge — and not at a nodal point of the valence wavefunction.
To compute the exciton wavefunction, I repeated the calculation with the hole in the same position but slightly displaced along the z-axis (z = 0.01) to check the sensitivity.
The result is the same.
Best regards,
Reza