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We present a novel approximation scheme for the treatment of strongly correlated electrons in arbitrary crystal lattices. The approach extends the well-known dynamical mean field theory to include nonlocal two-site correlations of arbitrary…

Strongly Correlated Electrons · Physics 2012-04-16 Torben Jabben , Norbert Grewe , Sebastian Schmitt

A framework for performing dynamic mesh adaptation with the discontinuous Galerkin method (DGM) is presented. Adaptations include modifications of the local mesh step size (h-adaptation) and the local degree of the approximating polynomials…

Computational Physics · Physics 2013-01-29 Sascha M. Schnepp , Thomas Weiland

The parquet approach to vertex corrections is unbiased but computationally demanding. Most applications are therefore restricted to small cluster sizes or rely on various simplifying approximations. We have recently shown that the…

Strongly Correlated Electrons · Physics 2022-05-11 Friedrich Krien , Anna Kauch

We investigate the application of the Density Matrix Renormalization Group (DMRG) to the Hubbard model in momentum-space. We treat the one-dimensional models with dispersion relations corresponding to nearest-neighbor hopping and $1/r$…

Strongly Correlated Electrons · Physics 2009-11-07 Satoshi Nishimoto , Eric Jeckelmann , Florian Gebhard , Reinhard M. Noack

We investigate the extended Hubbard model as an approximation to the local and spatial entanglement of a one-dimensional chain of nanostructures where the particles interact via a long range interaction represented by a `soft' Coulomb…

Strongly Correlated Electrons · Physics 2011-02-03 J. P. Coe , V. V. França , I. D'Amico

Nanochains of atoms, molecules and polymers have gained recent interest in the experimental sciences. This article contributes to an advanced mathematical modeling of the mechanical properties of nanochains that allow for heterogenities,…

Analysis of PDEs · Mathematics 2019-09-17 Laura Lauerbach , Stefan Neukamm , Mathias Schäffner , Anja Schlömerkemper

We investigate the Hubbard model on the triangular lattice at half-filling using the dynamical cluster approximation (DCA) and dual fermion (DF) methods in combination with continuous-time quantum Monte carlo (CT QMC) and semiclassical…

Strongly Correlated Electrons · Physics 2009-11-13 Hunpyo Lee , Gang Li , Hartmut Monien

We present linear response theories in the continuum capable of describing continuum spectra and dynamical correlations of finite systems with no spatial symmetry. Our formulation is essentially the same as the continuum random-phase…

Nuclear Theory · Physics 2007-05-23 Takashi Nakatsukasa , Kazuhiro Yabana

The dual-fermion approach provides a formally exact prescription for calculating properties of a correlated electron system in terms of a diagrammatic expansion around dynamical mean-field theory (DMFT). Most practical implementations,…

Strongly Correlated Electrons · Physics 2017-08-02 Jan Gukelberger , Evgeny Kozik , Hartmut Hafermann

The dynamical cluster approximation (DCA) is a quantum cluster extension to the single-site dynamical mean-field theory that incorporates spatially nonlocal dynamic correlations systematically and nonperturbatively. The DCA$^+$ algorithm…

Strongly Correlated Electrons · Physics 2020-05-26 Urs R. Hähner , Thomas A. Maier , Thomas C. Schulthess

In the framework of the many-electron s-d exchange model and Hubbard model, self-consistent equations are derived for the one-particle retarded Green's function in the many-electron Hubbard X-operator representation. We analyze the general…

Strongly Correlated Electrons · Physics 2015-06-03 A. O. Anokhin , A. V. Zarubin , V. Yu. Irkhin

We present a new algorithm which is named the Dynamical Functional Particle Method, DFPM. It is based on the idea of formulating a finite dimensional damped dynamical system whose stationary points are the solution to the original…

Numerical Analysis · Mathematics 2013-03-25 Mårten Gulliksson , Sverker Edvardsson , Andreas Lind

Dynamical screening is a key property of charged many-particle systems. Its theoretical description is based on the $GW$ approximation that is extensively applied for ground-state and equilibrium situations but also for systems driven out…

Strongly Correlated Electrons · Physics 2023-02-14 Jan-Philip Joost , Niclas Schlünzen , Hannes Ohldag , Michael Bonitz , Fabian Lackner , Iva Březinová

With the aim of describing real-time electron dynamics, we introduce an adiabatic approximation for the equation of motion of the one-body reduced-density matrix (one-matrix). The eigenvalues of the one-matrix, which represent the…

Strongly Correlated Electrons · Physics 2012-09-18 Ryan Requist , Oleg Pankratov

We present the finite-difference parquet method that greatly improves the applicability and accuracy of two-particle correlation approaches to interacting electron systems. This method incorporates the nonperturbative local physics from a…

Strongly Correlated Electrons · Physics 2026-03-10 Jae-Mo Lihm , Dominik Kiese , Seung-Sup B. Lee , Fabian B. Kugler

In the spirit of recently developed LDA+U and LDA+DMFT methods we implement a combination of density functional theory in its local density approximation (LDA) with a $k$- and $\omega -$dependent self-energy found from diagrammatic…

Strongly Correlated Electrons · Physics 2018-04-17 Sergey Y. Savrasov , Giacomo Resta , Xiangang Wan

We study a dynamic version of the implicit trace estimation problem. Given access to an oracle for computing matrix-vector multiplications with a dynamically changing matrix A, our goal is to maintain an accurate approximation to A's trace…

Data Structures and Algorithms · Computer Science 2021-10-27 Prathamesh Dharangutte , Christopher Musco

We address the calculation of dynamical correlation functions for many fermion systems at zero temperature, using the auxiliary-field quantum Monte Carlo method. The two-dimensional Hubbard hamiltonian is used as a model system. Although…

Strongly Correlated Electrons · Physics 2016-08-24 Ettore Vitali , Hao Shi , Mingpu Qin , Shiwei Zhang

We prove new enclosures for the spectrum of non-selfadjoint operator matrices associated with second order linear differential equations $\ddot{z}(t) + D \dot{z} (t) + A_0 z(t) = 0$ in a Hilbert space. Our main tool is the quadratic…

Spectral Theory · Mathematics 2017-03-23 Birgit Jacob , Christiane Tretter , Carsten Trunk , Hendrik Vogt

We propose a stochastic optimization method for minimizing loss functions, expressed as an expected value, that adaptively controls the batch size used in the computation of gradient approximations and the step size used to move along such…

Machine Learning · Computer Science 2020-03-04 Achraf Bahamou , Donald Goldfarb