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arXiv · 2606.05822

Study on the validity of IPT+parquet method as an impurity solver in DMFT focusing on orbital fluctuations

Aira Yamada·Ryota Mizuno·Masayuki Ochi·Kazuhiko Kuroki·Takuma Ohashi
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Abstract

A breakdown of calculations with exact impurity solvers in the dynamical mean field theory in multiband systems easily occurs due to the expensive numerical cost. To overcome this practical difficulty, three of the present authors developed an inexpensive and reliable impurity solver by combining the iterative perturbation theory (IPT) and parquet equation, and named it IPT+parquet [R. Mizuno, et al., Phys. Rev. B 104, 035160 (2021).]. In this study, we validate IPT+parquet focusing on the orbital fluctuation by comparing the numerically exact impurity solvers. We confirm that IPT+parquet can capture competition between orbital fluctuation channels, which the conventional IPT cannot capture.

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Aira Yamada, Ryota Mizuno, Masayuki Ochi, Kazuhiko Kuroki, Takuma Ohashi. 2026-06-04. Study on the validity of IPT+parquet method as an impurity solver in DMFT focusing on orbital fluctuations. https://arxiv.org/abs/2606.05822

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