Development of non-equilibrium Green's functions for use with full interaction in complex systems
Lynn, R., & van Leeuwen, R. (2016). Development of non-equilibrium Green's functions for use with full interaction in complex systems. In Progress in Non-equilibrium Green’s Functions (PNGF VI) (pp. 012020). Journal of Physics: Conference Series, 696. Institute of Physics Publishing Ltd.. doi:10.1088/1742-6596/696/1/012020
Published inJournal of Physics: Conference Series;696
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We present an ongoing development of an existing code for calculating groundstate, 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.