Author Topic: Interfering and non-interfering contributions of the transmission function  (Read 3635 times)

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Offline MolFET93

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Dear QuantumATK community,

is it somehow possible by accessing and manipulating low-level entities, to get interfering and non-interfering contributions from the Transmission function as done in the following equations (5-8) from this paper: https://doi.org/10.1063/5.0141577

Moreover, is it possible to get each individual contribution of molecular orbitals to the transmission, and their phase (eqs 9-11)?

Thank you very much,
Chiara

Offline Anders Blom

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Offline MolFET93

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Thank you! I'll give a try.