Rigorous wave function embedding with dynamical fluctuations

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Abstract

The dynamical fluctuations in approaches such as dynamical mean-field theory (DMFT) allow for the self-consistent optimization of a local fragment, hybridized with a true correlated environment. We show that these correlated environmental fluctuations can instead be efficiently captured in a wave function perspective in a computationally cheap, frequency-independent, zero-temperature approach. This allows for a systematically improvable, short-time wave function analogue to DMFT, which entails a number of computational and numerical benefits. We demonstrate this approach to solve the correlated dynamics of the paradigmatic Bethe lattice Hubbard model, as well as detailing cluster extensions in the one-dimensional Hubbard chain where we clearly show the benefits of this rapidly convergent description of correlated environmental fluctuations.
Original languageEnglish
Article number235132
Pages (from-to)1-7
JournalPhysical Review B
Volume98
Issue number23
Early online date14 Dec 2018
DOIs
Publication statusPublished - 15 Dec 2018

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