Details upon Transmission Spectrum Calulation from ATK-DFT package

[Ash]

Hi everyone,
I want to know the physics behind the calculation of Transmission Spectrum from DFT. Please give me the details or suggest me some reference paper for the same.

[Nordland]

If you want to know how the transmission spectrum is calculated, take a look in the reference manual.
http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissionspectrum.html

There you will find the formula. If you are looking for a derivation of the formula you can find it in Datta's book:
http://www.amazon.com/Electronic-Mesoscopic-Semiconductor-Microelectronic-Engineering/dp/0521599431

If you are talking more about the NEGF used for calculating the everything that goes into the formula, the best source is:
http://prb.aps.org/abstract/PRB/v65/i16/e165401

[Ash]

Thanks Norland, for providing me these many resources. However I was looking at the Manual: http://www.quantumwise.com/documents/manuals/latest/ReferenceManual/index.html/ref.transmissionspectrum.html but I could only find out about the calculation of current and conductance but nothing is mentioned (No formula is given) about the calculation of Transmission Spectrum itself.

[Nordland]

Okay. If you are searching for the transmission probability, I think my best direction would be Datta's textbook on this matter.