Development of non-equilibrium Green's functions for use with full interaction in complex systems

Abstract

We present an ongoing development of an existing code for calculating ground-state, steady-state, and transient properties of many-particle systems. The development involves the addition of the full four-index two electron integrals, which allows for the calculation of transport systems, as well as the extension to multi-level electronic systems, such as atomic and molecular systems and other applications. The necessary derivations are shown, along with some preliminary results and a summary of future plans for the code.