Articles with "quantum embedding" as a keyword



Coherent cellular dynamical mean-field theory: a real-space quantum embedding approach to disorder in strongly correlated electron systems

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Published in 2025 at "New Journal of Physics"

DOI: 10.1088/1367-2630/ae26c0

Abstract: We formulate a quantum embedding algorithm in real-space for the simultaneous theoretical treatment of nonlocal electronic correlations and disorder, the coherent cellular dynamical mean-field theory (C-CDMFT). This algorithm combines the molecular coherent potential approximation (CPA)… read more here.

Keywords: field theory; cellular dynamical; dynamical mean; mean field ... See more keywords

Systematic Improvability in Quantum Embedding for Real Materials

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Published in 2022 at "Physical Review X"

DOI: 10.1103/physrevx.12.011046

Abstract: Quantum embedding methods have become a powerful tool to overcome deficiencies of traditional quantum modelling in materials science. However while these are systematically improvable in principle, in practice it is rarely possible to achieve rigorous… read more here.

Keywords: systematic improvability; quantum embedding; real materials; quantum ... See more keywords