학술논문

Rigorous wave function embedding with dynamical fluctuations
Document Type
Working Paper
Source
Phys. Rev. B 98, 235132 (2018)
Subject
Condensed Matter - Strongly Correlated Electrons
Physics - Chemical Physics
Physics - Computational Physics
Language
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.