- #1
lepido
- 1
- 0
Hi,
I have a question regarding the contribution of some molecular orbitals (e.g HOMO, LUMO) to the total density of states of a two-probe system.
How exactly are the contributions of the MO ( that look similar to the DOS plots ) calculated, do they have something to do with the local density of states?
Is there a possibility to calculate the dos for a given eigenstate?
Thank you for any help,
Lepido
I have a question regarding the contribution of some molecular orbitals (e.g HOMO, LUMO) to the total density of states of a two-probe system.
How exactly are the contributions of the MO ( that look similar to the DOS plots ) calculated, do they have something to do with the local density of states?
Is there a possibility to calculate the dos for a given eigenstate?
Thank you for any help,
Lepido