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The recent development of spectral method has been praised for its high-order convergence in simulating complex physical problems. The combination of embedded boundary method and spectral method becomes a mainstream way to tackle…

Numerical Analysis · Mathematics 2018-03-08 Po-Yi Wu , Cheng-Hong Robert Kao , Tony Wen-Hann Sheu

We present an algorithm to compute Green's functions on quantum computers for interacting electron systems, which is a challenging task on conventional computers. It uses a continued fraction representation based on the Lanczos method,…

Quantum Physics · Physics 2022-12-07 Francois Jamet , Abhishek Agarwal , Ivan Rungger

We give details on how to calculate spectral functions and Green's functions for finite systems using the Chebyshev polynomial expansion method. We apply the method to a finite Anderson impurity system, and furthermore give details on how…

Strongly Correlated Electrons · Physics 2015-11-04 M. Hyrkäs , D. Karlsson , R. van Leeuwen

We present a data-driven approach to mathematically model physical systems whose governing partial differential equations are unknown, by learning their associated Green's function. The subject systems are observed by collecting…

Numerical Analysis · Mathematics 2023-03-13 Harshwardhan Praveen , Nicolas Boulle , Christopher Earls

We introduce a spectral density functional theory which can be used to compute energetics and spectra of real strongly--correlated materials using methods, algorithms and computer programs of the electronic structure theory of solids. The…

Strongly Correlated Electrons · Physics 2009-11-10 S. Y. Savrasov , G. Kotliar

The essential quantum many-body physics of an ultracold quantum gas relies on the single-particle Green's functions.\ We demonstrate that it can be extracted by the spectrum of electromagnetically induced transparency (EIT).\ The…

Quantum Gases · Physics 2014-11-03 H. H. Jen , Daw-Wei Wang

We systematically generate the perturbative expansion for the two-particle spin susceptibility in the Feynman diagrammatic formalism and apply this expansion to a model system - the single-band Hubbard model on a square lattice. We make use…

Strongly Correlated Electrons · Physics 2020-07-15 Amir Taheridehkordi , S. H. Curnoe , J. P. F. LeBlanc

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

The many-body problem is usually approached from one of two perspectives: the first originates from an action and is based on Feynman diagrams, the second is centered around a Hamiltonian and deals with quantum states and operators. The…

Strongly Correlated Electrons · Physics 2021-10-15 Fabian B. Kugler , Seung-Sup B. Lee , Jan von Delft

We present a generalization of the maximum entropy method to the analytic continuation of matrix-valued Green's functions. To treat off-diagonal elements correctly based on Bayesian probability theory, the entropy term has to be extended…

Strongly Correlated Electrons · Physics 2017-11-07 Gernot J. Kraberger , Robert Triebl , Manuel Zingl , Markus Aichhorn

Several recent works have introduced highly compact representations of single-particle Green's functions in the imaginary time and Matsubara frequency domains, as well as efficient interpolation grids used to recover the representations. In…

Strongly Correlated Electrons · Physics 2023-06-28 Nan Sheng , Alexander Hampel , Sophie Beck , Olivier Parcollet , Nils Wentzell , Jason Kaye , Kun Chen

Scattering experiments can be leveraged to extract the effective properties of a heterogeneous metamaterial slab based on multi-point measurements in surrounding media. In this technique, two measurements are made in the ambient media on…

Applied Physics · Physics 2023-07-14 Joshua Morris , Alireza V. Amirkhizi

Computationally inexpensive approximations describing electron-phonon scattering in molecular-scale conductors are derived from the non-equilibrium Green's function method. The accuracy is demonstrated with a first principles calculation on…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Magnus Paulsson , Thomas Frederiksen , Mads Brandbyge

The method of many-body Green's functions is developed for arbitrary systems of electrons and nuclei starting from the full (beyond Born-Oppenheimer) Hamiltonian of Coulomb interactions and kinetic energies. The theory presented here…

Other Condensed Matter · Physics 2020-06-23 Ville J. Härkönen , Robert van Leeuwen , E. K. U. Gross

The main goal of this paper is to define and study new methods for the computation of effective coefficients in the homogenization of divergence-form operators with random coefficients. The methods introduced here are proved to have optimal…

Numerical Analysis · Mathematics 2017-11-01 Jean-Christophe Mourrat

We put forward a new type of spectral method for the direct numerical simulation of flows where anisotropy or very fine boundary layers are present. The mean idea is to take advantage of the fact that such structures are dissipative and…

Fluid Dynamics · Physics 2014-03-18 Kacper Kornet , Alban Pothérat

Hybrid spectral-spatial representations are introduced to rapidly calculate periodic scalar and dyadic Green's functions of the Helmholtz equation for 2D and 3D configurations with a 1D (linear) periodicity. The presented schemes work…

Computational Physics · Physics 2015-05-13 Derek Van Orden , Vitaliy Lomakin

We develop a causal optimization method that ensures causality in numerical calculations of Green's functions in interacting electron systems. Our method removes noncausality of numerical data by finding causal functions closest to the…

Strongly Correlated Electrons · Physics 2021-09-09 Mancheon Han , Hyoung Joon Choi

We describe an approach for calculations of phonon contributions to the electron spectral function, including both quasiparticle properties and satellites. The method is based on a cumulant expansion for the retarded one-electron Green's…

Materials Science · Physics 2015-06-22 S. M. Story , J. J. Kas , F. D. Vila , M. J. Verstraete , J. J. Rehr

Quantum Monte Carlo (QMC) methods are uniquely capable of providing exact simulations of quantum many-body systems. Unfortunately, the applications of a QMC simulation are limited because extracting dynamic properties requires solving the…