Development of non-equilibrium Green's functions for use with full interaction in complex systems
Mesoscale and Nanoscale Physics
2016-05-04 v2 Chemical Physics
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.
Cite
@article{arxiv.1511.02600,
title = {Development of non-equilibrium Green's functions for use with full interaction in complex systems},
author = {Richard A. Lynn and Robert van Leeuwen},
journal= {arXiv preprint arXiv:1511.02600},
year = {2016}
}