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We introduce an improved approach for obtaining smooth finite-temperature spectral functions of quantum impurity models using the numerical renormalization group (NRG) technique. It is based on calculating first the Green's function on the…

Strongly Correlated Electrons · Physics 2013-07-10 Žiga Osolin , Rok Žitko

Thermal quantum time-correlation functions are of fundamental importance in quantum dynamics, allowing experimentally-measurable properties such as reaction rates, diffusion constants and vibrational spectra to be computed from first…

Chemical Physics · Physics 2017-07-25 Timothy J. H. Hele

We report an implementation of self-consistent Green's function many-body theory within a second-order approximation (GF2) for application with molecular systems. This is done by iterative solution of the Dyson equation expressed in matrix…

Chemical Physics · Physics 2016-11-15 Jordan J. Phillips , Dominika Zgid

The basic thermodynamic quantities for a non-interacting scalar field in a periodic potential composed of either a one-dimensional chain of Dirac $\delta$-$\delta^\prime$ functions or a specific potential with extended compact support are…

Mathematical Physics · Physics 2020-04-22 M. Bordag , J. M. Muñoz-Castañeda , L. Santamaría-Sanz

Quantum transport of strongly correlated fermions is of central interest in condensed matter physics. Here, we present first-principle nonequilibrium Green functions results using $T$-matrix selfenergies for finite Hubbard clusters of…

Quantum Gases · Physics 2016-01-15 N. Schlünzen , S. Hermanns , M. Bonitz , C. Verdozzi

The inhomogenous time-fractional telegraph equation with Caputo derevatives with constant coefficients is considered. For considered equation the general representation of regular solution in rectangular domain is obtained, and the…

Analysis of PDEs · Mathematics 2019-06-04 Murat O. Mamchuev

For a scalar theory whose classical scale invariance is broken by quantum effects, we compute self-consistent bounce solutions and Green's functions. Deriving analytic expressions, we find that the latter are similar to the Green's…

High Energy Physics - Theory · Physics 2018-07-03 Bjorn Garbrecht , Peter Millington

It was shown recently that smooth and continuous "Matsubara" phase-space loops follow a quantum-Boltzmann-conserving classical dynamics when decoupled from non-smooth distributions, which was suggested as the reason that many dynamical…

Chemical Physics · Physics 2018-07-06 George Trenins , Stuart C. Althorpe

A recently proposed analytical solution for the equations of motion of the one-body Green function of the double quantum dot is extended to the out-of-equilibrium situation. By solving a linear system for the density correlators, not only…

Mesoscale and Nanoscale Physics · Physics 2025-01-30 Nahual Sobrino , David Jacob , Stefan Kurth

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

A nonperturbative theory is developed, aiming at an exact and efficient evaluation of a general quantum system interacting with arbitrary bath environment at any temperature and in the presence of arbitrary time-dependent external fields.…

Statistical Mechanics · Physics 2007-05-23 Rui-Xue Xu , YiJing Yan

We provide a mathematical analysis of the Dynamical Mean-Field Theory, a celebrated representative of a class of approximations in quantum mechanics known as embedding methods. We start by a pedagogical and self-contained mathematical…

Mathematical Physics · Physics 2024-06-06 Éric Cancès , Alfred Kirsch , Solal Perrin-Roussel

It is shown that the free energy associated to a finite dimensional Airy structure is an analytic function at each finite order of the $\hbar$ expansion. Semiclassical series itself is in general divergent. Calculations are facilitated by…

Mathematical Physics · Physics 2020-02-19 Błażej Ruba

For a given diagrammatic approximation in many-body perturbation theory it is not guaranteed that positive observables, such as the density or the spectral function, retain their positivity. For zero-temperature systems we developed a…

Mathematical Physics · Physics 2022-08-23 Markku J. Hyrkäs , Daniel Karlsson , Robert van Leeuwen

Many applications of Green's functions (GFs) require their evaluation over intervals or at multiple points, motivating quantum algorithms that return an efficiently computable functional representation rather than mere point estimates. We…

Quantum Physics · Physics 2026-05-25 Jacob S. Nelson , Andrew B. Baczewski

We derive equations of motion for Green's functions of the multi-orbital Anderson impurity model by differentiating symmetrically with respect to all time arguments. The resulting equations relate the one- and two-particle Green's function…

Strongly Correlated Electrons · Physics 2019-08-14 Josef Kaufmann , Patrik Gunacker , Alexander Kowalski , Giorgio Sangiovanni , Karsten Held

Many-body quantum systems in nonequilibrium remain one of the frontiers of many-body physics. While there has been significant advances in describing the short-time evolution of these systems using a variety of different numerical…

Quantum Physics · Physics 2021-01-05 Herbert F. Fotso , Eric Dohner , Alexander Kemper , James K. Freericks

Accurate modeling of the electronic structure of warm dense matter is a challenging problem whose solution would allow a better understanding of material properties like equation of state, opacity, and conductivity, with resulting…

Plasma Physics · Physics 2021-07-14 M. Laraia , C. Hanson , N. R. Shaffer , D. Saumon , D. P. Kilcrease , C. E. Starrett

We investigate the possibility to assist the numerically ill-posed calculation of spectral properties of interacting quantum systems in thermal equilibrium by extending the imaginary-time simulation to a finite Schwinger-Keldysh contour.…

Strongly Correlated Electrons · Physics 2013-02-25 Andreas Dirks , Martin Eckstein , Thomas Pruschke , Philipp Werner

We present an \textit{ab initio} auxiliary field quantum Monte Carlo method for studying the electronic structure of molecules, solids, and model Hamiltonians at finite temperature. The algorithm marries the \textit{ab initio} phaseless…

Strongly Correlated Electrons · Physics 2018-11-13 Yuan Liu , Minsik Cho , Brenda Rubenstein
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