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/10.1063/5.0141577Moreover, 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