Hole–electron quantum tunnelling interferences through a molecular junction

The Configuration Interaction Elastic Scattering Quantum Chemistry (CI-ESQC) method is used to calculate the many-body electronic transmission coefficient through a molecular junction in a coherent superposition of hole and electron tunnelling processes. Independent hole and electron destructive interferences are still existing and with a net zero of transmission at the interference energy locations. But in the molecule electronic gap, CI-ESQC leads to a destructive interference with a non zero of transmission between hole and electron processes. This explains the non zero of transmission destructive interference recently observed at the Fermi level in the molecule electronic gap.