Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions.

@article{Krishtal2015SubsystemDT,
title={Subsystem density-functional theory as an effective tool for modeling ground and excited states, their dynamics and many-body interactions.},
author={Alisa Krishtal and Debalina Sinha and Alessandro Genova and Michele Pavanello},
journal={Journal of physics. Condensed matter : an Institute of Physics journal},
year={2015},
volume={27 18},
pages={183202}
}

Subsystem density-functional theory (DFT) is an emerging technique for calculating the electronic structure of complex molecular and condensed phase systems. In this topical review, we focus on some recent advances in this field related to the computation of condensed phase systems, their excited states, and the evaluation of many-body interactions between the subsystems. As subsystem DFT is in principle an exact theory, any advance in this field can have a dual role. One is the possible… CONTINUE READING

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