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arXiv · 1511.02600

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

Richard A. Lynn·Robert van Leeuwen
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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.

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Richard A. Lynn, Robert van Leeuwen. 2016-02-05. Development of non-equilibrium Green's functions for use with full interaction in complex systems. https://doi.org/10.1088/1742-6596%2F696%2F1%2F012020

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