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Finite-temperature quantum field theories are formulated in terms of Green's functions and self-energies on the Matsubara axis. In multi-orbital systems, these quantities are related to positive semidefinite matrix-valued functions of the…

Strongly Correlated Electrons · Physics 2021-10-13 Jiani Fei , Chia-Nan Yeh , Dominika Zgid , Emanuel Gull

We present a minimal pole method for analytically continuing matrix-valued imaginary frequency correlation functions to the real axis, enabling precise access to off-diagonal elements and thus improving the interpretation of self-energies…

Strongly Correlated Electrons · Physics 2024-12-16 Lei Zhang , Yang Yu , Emanuel Gull

In this paper, we propose a new analytic continuation method to extract real frequency spectral functions from imaginary frequency Green's functions of quantum many-body systems. This method is based on the pole representation of Matsubara…

Strongly Correlated Electrons · Physics 2024-05-15 Li Huang , Shuang Liang

Analytic continuation is a critical step in quantum many-body computations, connecting imaginary-time or Matsubara Green's functions with real-frequency spectral functions, which can be directly compared to experimental results. However,…

Strongly Correlated Electrons · Physics 2025-03-21 Li Huang , Changming Yue

A simple method for numerical analytic continuation is developed. It is designed to analytically continue the imaginary time (Matsubara frequency) quantum Monte Carlo simulation results to the real time (real frequency) domain. Such a…

Computational Physics · Physics 2018-12-07 Jian Wang , Sudip Chakravarty

Diagrammatic expansions are a central tool for treating correlated electron systems. At thermal equilibrium, they are most naturally defined within the Matsubara formalism. However, extracting any dynamic response function from a Matsubara…

Strongly Correlated Electrons · Physics 2020-02-19 Jaksa Vucicevic , Michel Ferrero

We present a new algorithm to analytically continue the self-energy of quantum many-body systems from Matsubara frequencies to the real axis. The method allows straightforward, unambiguous computation of electronic spectra for lattice…

Strongly Correlated Electrons · Physics 2015-06-18 Peter Staar , Bart Ydens , Anton Kozhevnikov , Jean-Pierre Locquet , Thomas Schulthess

The ill-posed analytic continuation problem for Green's functions or self-energies can be done using the Pad\'e rational polynomial approximation. However, to extract accurate results from this approximation, high precision input data of…

Strongly Correlated Electrons · Physics 2017-06-28 Xing-Jie Han , Hai-Jun Liao , Hai-Dong Xie , Rui-Zhen Huang , Zi Yang Meng , Tao Xiang

By merging algorithmic Matsubara integration with discrete pole representations we present a procedure to generate fully analytic closed form results for impurity problems at fixed perturbation order. To demonstrate the utility of this…

Strongly Correlated Electrons · Physics 2024-07-02 Daria Gazizova , Lei Zhang , Emanuel Gull , J. P. F. LeBlanc

We formulate the problem of numerical analytic continuation in a way that lets us draw meaningful conclusions about properties of the spectral function based solely on the input data. Apart from ensuring consistency with the input data…

Other Condensed Matter · Physics 2017-01-11 Olga Goulko , Andrey S. Mishchenko , Lode Pollet , Nikolay Prokof'ev , Boris Svistunov

Representing spectral densities, real-frequency, and real-time Green's functions of continuous systems by a small discrete set of complex poles is an ubiquitous problem in condensed matter physics, with applications ranging from quantum…

Strongly Correlated Electrons · Physics 2025-06-04 Lei Zhang , André Erpenbeck , Yang Yu , Emanuel Gull

We illustrate how to calculate the finite-temperature linear-response conductance of quantum impurity models from the Matsubara Green function. A continued fraction expansion of the Fermi distribution is employed which was recently…

Strongly Correlated Electrons · Physics 2015-05-19 C. Karrasch , V. Meden , K. Schönhammer

Conceptually, the Matsubara formalism (MF), using imaginary frequencies, and the Keldysh formalism (KF), formulated in real frequencies, give equivalent results for systems in thermal equilibrium. The MF has less complexity and is thus more…

Strongly Correlated Electrons · Physics 2026-01-27 Anxiang Ge , Johannes Halbinger , Seung-Sup B. Lee , Jan von Delft , Fabian B. Kugler

A system of equations resulting from an approximation of the equation of motion of Green functions for correlated electron systems is usually solved using Matsubara technique. In this work we propose an alternative method which works…

Strongly Correlated Electrons · Physics 2007-05-23 M. Letz , F. Marsiglio

Simulations of finite temperature quantum systems provide imaginary frequency Green's functions that correspond one-to-one to experimentally measurable real-frequency spectral functions. However, due to the bad conditioning of the…

Strongly Correlated Electrons · Physics 2021-02-10 Jiani Fei , Chia-Nan Yeh , Emanuel Gull

This note proposes a new algorithm for estimating spectral function from limited noisy Matsubara data. We consider both the molecule and condensed matter cases. In each case, the algorithm constructs an interpolant of the Matsubara data and…

Numerical Analysis · Mathematics 2022-09-14 Lexing Ying

We present a compressive sensing approach for the long standing problem of Matsubara summation in many-body perturbation theory. By constructing low-dimensional, almost isometric subspaces of the Hilbert space we obtain optimum imaginary…

Materials Science · Physics 2020-06-24 Merzuk Kaltak , Georg Kresse

We present results for many-body perturbation theory for the one-body Green's function at finite temperatures using the Matsubara formalism. Our method relies on the accurate representation of the single-particle states in standard Gaussian…

Strongly Correlated Electrons · Physics 2018-04-04 Michael Schüler , Yaroslav Pavlyukh

A new algorithm for analytic continuation of noisy quantum Monte Carlo (QMC) data from the Matsubara domain to real frequencies is proposed. Unlike the widely used maximum-entropy (MaxEnt) procedure, our method is linear with respect to…

Strongly Correlated Electrons · Physics 2011-06-29 I. S. Krivenko , A. N. Rubtsov

Measuring the vibronic spectrum probes dynamical processes in molecular systems. When interpreted via suitable theoretical tools, the experimental data provides comprehensive information about the system in question. For complex many-body…

Chemical Physics · Physics 2018-12-05 Sven Karsten , Sergei D. Ivanov , Sergey I. Bokarev , Oliver Kühn
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