Electronic transport in molecular junctions: The generalized Kadanoff–Baym ansatz with initial contact and correlations
Electronic transport in molecular junctions: The generalized Kadanoff–Baym ansatz with initial contact and correlations
The generalized Kadanoff-Baym ansatz (GKBA) offers a computationally inexpensive approach to simulate out-of-equilibrium quantum systems within the framework of nonequilibrium Green's functions. For finite systems the limitation of neglecting initial correlations in the conventional GKBA approach has recently been overcome [Phys. Rev. B 98, 115148 (2018)]. However, in the context …