Bias voltage dependence on the vibronic electric current

摘要: We discuss bias voltage effects on the elastic and inelastic currents in tunneling region. have derived solved two self-consistent loops: one for electron-electron interaction within Hartree-Fock approximation, another electron-intramolecular vibration coupling Born approximation. The formalism is based Keldysh Green's function theory; numerical calculations were made terms of ab initio quantum chemistry techniques augmented with a model electrodes. While no remarkable effect vibronic was found low-bias region, we significant high-bias suppressive correlation between components current reduced because molecular orbital energy shift latter