Regensburg 2025 – scientific programme

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TT: Fachverband Tiefe Temperaturen

TT 37: Correlated Electrons: Poster

TT 37.47: Poster

Wednesday, March 19, 2025, 15:00–18:00, P4

An Accessible Implementation and Detailed Test of Real-Frequency Dynamical Mean-Field Theory — •Aleksandrs Zacinskis, Sina Shokri, Kevin Ackermann, Michelangelo Tagliavini, and Maurits W. Haverkort — Heidelberg University, Institute for Theoretical Physics, Philosophenweg 19, 69120 Heidelberg, Germany

Dynamical Mean-Field Theory (DMFT) has become a powerful tool for studying materials with correlated electrons. However, most DMFT solvers operate on imaginary Matsubara frequencies, making the extraction of accurate spectral functions challenging due to the need for analytical continuation.

Here, we perform DMFT calculations using a real-frequency solver implemented in Quanty [1]. This implementation utilizes a one-particle basis of natural impurity orbitals [2] to investigate several correlated model systems with local interactions. We systematically examine critical metal-insulator transition interaction strengths and the chemical potential as a function of filling, comparing different bath discretization schemes and numerical cut-offs to manage Hilbert space size.

Our results demonstrate robust and satisfactory convergence at moderate computational costs, validating the reliability of this approach. All calculations were performed using the open-source quantum many-body code Quanty (www.quanty.org), emphasizing its accessibility for broader applications in correlated electron systems.

[1] Phys. Rev. B 85, 165113 (2012);

[2] Phys. Rev. B 90, 085102 (2014).

Keywords: Dynamical Mean-Field Theory (DMFT); Real-Frequency Solver; Spectral Functions; Metal-Insulator Transition; Correlated Electron Systems