A dynamical method for inelastic transport simulations in nanostructures is compared with a steady-state method based on non-equilibrium Green's functions. A simplified form of the dynamical method produces, in the steady state in the weak-coupling limit, effective self-energies analogous to those in the Born Approximation due to electron-phonon coupling. The two methods are then compared numerically on a resonant system consisting of a linear trimer weakly embedded between metal electrodes. This system exhibits enhanced heating at high biases and long phonon equilibration times. Despite the differences in their formulation, the static and dynamical methods capture local current-induced heating and inelastic corrections to the current with good agreement over a wide range of conditions, except in the limit of very high vibrational excitations, where differences begin to emerge.
Cotunneling theory and multiplet excitations: emergence of asymmetric line shape in inelastic scanning tunneling spectroscopy of correlated molecules on surfaces
Institute of Physics, Czech Academy of Sciences（捷克科学院物理研究所）；Department of Condensed Matter Physics, Faculty of Mathematics and Physics, Charles University（查理大学数学与物理学院凝聚态物理系）；Czech Advanced Technology and Research Institute (CATRIN), Palacký University Olomouc（帕拉茨基大学奥尔米茨捷克先进技术与研究院）
Photoinduced dynamics of organic molecules using nonequilibrium Green's functions with second-Born, $GW$, $T$-matrix and three-particle ladder correlations
