What do we get with MolecularEnergySpectrum for a two-probe system?

[xhsh]

We can set a device configuration for the parameter "configuration".  But what will we get with MolecularEnergySpectrum for a two-probe system? The MPSH? We diagonalize the the Hamiltonian of the central region? Since the Hamiltonian is no Hermitian for a two probe system, what will be the wave functions? The real part?

[Petr Khomyakov]

As suggested by this tutorial https://docs.quantumwise.com/tutorials/molecular_device/molecular_device.html#stokbro2003151: "The MPSH states are obtained by diagonalizing the molecular part of the full self-consistent Hamiltonian [STB+03]", see the actual images of these states, as well as the reference [STB+03] in that tutorial.