How to check the contributions of σ and π components for total transmission

[cz]

Dear all,

I would like to see the contributions of σ and π components for the total transmission, as did in the article 'Quantum Interference in Acyclic Systems: Conductance of Cross-Conjugated Molecules' (J. Am. Chem. Soc., 2008, 130 (51), pp 17301–17308, DOI: 10.1021/ja8044053) for example.

Attached is Fig.3 (a) in the article. By plotting transmission of σ and π components, it is clear that the zero-bias transport of the metal-molecule-metal junction is dominated by the σ system.

My question is how to analyze transmission like that in ATK?

Any help would be appreciated. If there are some explanations in tutorial, please let me know, I can not find it anywhere.

Thank you. 

[zh]

From the analysis of the transmission eigenvalues and Eigenstates, you can get the contributions from different components. In particular, if the conductor object in the centre region is planar, the sigma and pi components  can be extracted separately because they aren't hybridized and they have strikingly different characters in the transmission eigenstates.
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissioneigenstate.html
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissioneigenvalues.html

[cz]

Thank you for your reply.