Chemical Forums
Chemistry Forums for Students => Physical Chemistry Forum => Topic started by: lepido on August 12, 2007, 05:43:26 PM
-
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