Articles with "real materials" as a keyword



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Implementation strategies for multiband quantum simulators of real materials

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Published in 2017 at "Physical Review A"

DOI: 10.1103/physreva.95.033636

Abstract: The majority of quantum simulators treat simplified one-band strongly correlated models, whereas multiple bands are needed to describe materials with intermediate correlation. We investigate the sensitivity of multiband quantum simulators to: (1) the form of… read more here.

Keywords: strategies multiband; real materials; multiband quantum; implementation strategies ... See more keywords
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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