how to analysis the quantum interference based on the transmission pathways

[njuxyh]

Dear all:
I have modeled a molecular electron device, and I want to know is there any interesting quantum interference between molecular and electrode.
as I know the transmission pathways can help it.
but transmission pathways can only get the direction of current flow between atoms? how the interference can be analyzed   

anyone can help me
great appreciated

thank you

[Petr Khomyakov]

but transmission pathways can only get the direction of current flow between atoms? how the interference can be analyzed   

It depends on what you mean by interference analysis. You might for example look at the Transmission Eigenstates (2D or 3D wave function image), https://docs.quantumwise.com/manual/Types/TransmissionEigenstate/TransmissionEigenstate.html. But it is really up to you to decide on what kind of physical quantities you want to study in the numerical calculations.  We can then advise you if that particular quantity can be computed in QuantumATK.

[njuxyh]

but transmission pathways can only get the direction of current flow between atoms? how the interference can be analyzed   

It depends on what you mean by interference analysis. You might for example look at the Transmission Eigenstates (2D or 3D wave function image), https://docs.quantumwise.com/manual/Types/TransmissionEigenstate/TransmissionEigenstate.html. But it is really up to you to decide on what kind of physical quantities you want to study in the numerical calculations.  We can then advise you if that particular quantity can be computed in QuantumATK.

thank you for your kindly reply,
in fact, i want to know there is a destructive quantum inertereface or not.
i saw some paper, including the paper listed in the website of about transmission pathways, said if there is a ring current, it means there is a destructive. but it is only valid for the ring structures. for the linear structures, how can i know:)