Efficient computational screening of strongly correlated materials: Multiorbital phenomenology within the ghost Gutzwiller approximation

نویسندگان

چکیده

Leveraging strong electronic correlations for device design hinges on an accurate theoretical description of their optoelectronic properties. Unfortunately, this requires numerically expensive tools, precluding effective search material candidates. The recent ghost Gutzwiller approximation promises a possible solution to challenge, providing remarkable spectral accuracy despite its comparatively simple algorithmic ingredients. Here, the authors show how method successfully captures correlation phenomenologies multiorbital systems in excellent agreement with established dynamical mean-field theory at fraction computational cost.

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ژورنال

عنوان ژورنال: Physical review

سال: 2023

ISSN: ['0556-2813', '1538-4497', '1089-490X']

DOI: https://doi.org/10.1103/physrevb.107.235150