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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

The analytic continuation of imaginary-time quantum Monte Carlo data to extract real-frequency spectra remains a key problem in connecting theory with experiment. Here we present a fast and efficient stochastic optimization method (FESOM)…

Strongly Correlated Electrons · Physics 2016-11-03 F. Bao , Y. Tang , M. Summers , G. Zhang , C. Webster , V. Scarola , T. A. Maier

Two-particle Green's functions and the vertex functions play a critical role in theoretical frameworks for describing strongly correlated electron systems. However, numerical calculations at two-particle level often suffer from large…

Strongly Correlated Electrons · Physics 2018-05-16 Hiroshi Shinaoka , Junya Otsuki , Kristjan Haule , Markus Wallerberger , Emanuel Gull , Kazuyoshi Yoshimi , Masayuki Ohzeki

Several widely used methods for the calculation of band structures and photo emission spectra, such as the GW approximation, rely on Many-Body Perturbation Theory. They can be obtained by iterating a set of functional differential equations…

Strongly Correlated Electrons · Physics 2012-01-31 Giovanna Lani , Pina Romaniello , Lucia Reining

The interaction of electrons with quantized phonons and photons underlies the ultrafast dynamics of systems ranging from molecules to solids, and it gives rise to a plethora of physical phenomena experimentally accessible using…

Strongly Correlated Electrons · Physics 2021-07-21 Daniel Karlsson , Robert van Leeuwen , Yaroslav Pavlyukh , Enrico Perfetto , Gianluca Stefanucci

We present a new charge self-consistent scheme combining Density Functional and Dynamical Mean Field Theory, which uses Green's function of multiple scattering-type. In this implementation the many-body effects are incorporated into the…

Strongly Correlated Electrons · Physics 2017-10-11 A. Östlin , L. Vitos , L. Chioncel

A method for analytic continuation of imaginary-time correlation functions (here obtained in quantum Monte Carlo simulations) to real-frequency spectral functions is proposed. Stochastically sampling a spectrum parametrized by a large…

Strongly Correlated Electrons · Physics 2017-06-30 Anders W. Sandvik

The ill-posed analytic continuation problem for Green's functions and self-energies is investigated by revisiting the Pad\'{e} approximants technique. We propose to remedy the well-known problems of the Pad\'{e} approximants by performing…

Strongly Correlated Electrons · Physics 2016-08-22 J. Schött , I. L. M. Locht , E. Lundin , O. Grånäs , O. Eriksson , I. Di Marco

Many-body calculations at the two-particle level require a compact representation of two-particle Green's functions. In this paper, we introduce a sparse sampling scheme in the Matsubara frequency domain as well as a tensor network…

Strongly Correlated Electrons · Physics 2020-01-29 Hiroshi Shinaoka , Dominique Geffroy , Markus Wallerberger , Junya Otsuki , Kazuyoshi Yoshimi , Emanuel Gull , Jan Kuneš

Recently Han and Heary proposed an approach to steady-state quantum transport through mesoscopic structures, which maps the non-equilibrium problem onto a family of auxiliary quantum impurity systems subject to imaginary voltages. We employ…

Strongly Correlated Electrons · Physics 2012-05-07 Andreas Dirks , Philipp Werner , Mark Jarrell , Thomas Pruschke

The Bayesian reconstruction entropy is considered an alternative to the Shannon-Jaynes entropy, as it does not exhibit the asymptotic flatness characteristic of the Shannon-Jaynes entropy and obeys the scale invariance. It is commonly…

High Energy Physics - Lattice · Physics 2024-01-02 Songlin Yang , Liang Du , Li Huang

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 critique a Pade analytic continuation method whereby a rational polynomial function is fit to a set of input points by means of a single matrix inversion. This procedure is accomplished to an extremely high accuracy using a novel…

Strongly Correlated Electrons · Physics 2009-10-31 K. S. D. Beach , R. J. Gooding , F. Marsiglio

The second-order Matsubara Green's function method (GF2) is a robust temperature dependent quantum chemistry approach, extending beyond the random-phase approximation. However, till now the scope of GF2 applications was quite limited as…

Chemical Physics · Physics 2017-09-20 Daniel Neuhauser , Roi Baer , Dominika Zgid

Analytic continuation (AC) from the imaginary-time Green's function to the spectral function is a crucial process for numerical studies of the dynamical properties of quantum many-body systems. This process, however, is an ill-posed…

Strongly Correlated Electrons · Physics 2022-01-26 Yuichi Motoyama , Kazuyoshi Yoshimi , Junya Otsuki

In this work, we present a method to reconstruct real-frequency properties from analytically continued causal Green's functions within the framework of Migdal-Eliashberg (ME) theory for superconductivity. ME theory involves solving a set of…

Superconductivity · Physics 2024-10-15 D. M. Khodachenko , R. Lucrezi , P. N. Ferreira , M. Aichhorn , C. Heil

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

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

Acoustic room modes and the Green's function mode expansion are well-known for rectangular rooms with perfectly reflecting walls. First-order approximations also exist for nearly rigid boundaries; however, current analytical methods fail to…

Audio and Speech Processing · Electrical Eng. & Systems 2026-02-11 Matteo Calafà , Yuanxin Xia , Jonas Brunskog , Cheol-Ho Jeong

A stochastic method is described for estimating Green's functions (GF's), appropriate to linear advection-diffusion-reaction transport problems, evolving in arbitrary geometries. By allowing straightforward construction of approximate,…