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A detailed convex analysis-based formulation of density-functional theory for periodic systems in arbitrary dimensions is presented. The electron-electron interaction is taken to be of Yukawa type, harmonising with underlying function…

Chemical Physics · Physics 2026-02-23 Oliver M. Bohle , Maryam Lotfigolian , Andre Laestadius , Erik I. Tellgren

We review the recently proposed unreduced, complex-dynamical solution to the many-body problem with arbitrary interaction and its application to the unified solution of fundamental problems, including dynamic foundations of causally…

General Physics · Physics 2014-02-07 Andrei P. Kirilyuk

We explore the principles of many-body Hamiltonian complexity reduction via downfolding on an effective low-dimensional representation. We present a unique measure of fidelity between the effective (reduced-rank) description and the full…

Computational Physics · Physics 2024-11-26 Annabelle Canestraight , Zhen Huang , Vojtech Vlcek

Using eigen-functional bosonization method, we study quantum many-particle systems, and show that the quantum many-particle problems end in to solve the differential equation of the phase fields which represent the particle correlation…

Strongly Correlated Electrons · Physics 2007-05-23 Yu-Liang Liu

Quantum master equations are common tools to describe the dynamics of many-body systems open to an environment. Due to the interaction with the latter, even for the case of non-interacting electrons, the computational cost to solve these…

Other Condensed Matter · Physics 2009-09-29 Yu. V. Pershin , Y. Dubi , M. Di Ventra

As density functional theory conventionally assumes that the density of a chosen model system (e.g., the Kohn-Sham system) is the same as the exact one, one might expect that approximations to the exact density introduce supplementary…

Chemical Physics · Physics 2009-02-17 A. Savin

A dynamical many-body theory is presented which systematically extends beyond mean-field and perturbative quantum-field theoretical procedures. It allows us to study the dynamics of strongly interacting quantum-degenerate atomic gases. The…

Other Condensed Matter · Physics 2010-02-04 Thomas Gasenzer , Juergen Berges , Michael G. Schmidt , Marcos Seco

Reducing the many-fermion problem to a set of single-particle (s.p.) equations, the Kohn-Sham (KS) theory has provided a practical tool to implement \textit{ab initio} calculations of ground-state energies and densities in many-electron…

Quantum Physics · Physics 2023-09-18 H. Nakada

By analyzing the many-body problem for non-relativistic electrons strongly coupled to photon modes of a microcavity I derive the exact momentum/force balance equation for cavity quantum electrodynamics. Implications of this equation for the…

Mesoscale and Nanoscale Physics · Physics 2018-12-14 I. V. Tokatly

In this paper, we study finite dimensional approximations of Kohn-Sham models, which are widely used in electronic structure calculations. We prove the convergence of the finite dimensional approximations and derive the a priori error…

Numerical Analysis · Mathematics 2011-08-10 Huajie Chen , Xingao Gong , Lianhua He , Zhang Yang , Aihui Zhou

Within the non-equilibrium Green's function technique on the real time contour, the Phi-functional method of Baym is reviewed and generalized to arbitrary non-equilibrium many-particle systems. The scheme may be closed at any desired order…

High Energy Physics - Phenomenology · Physics 2008-11-26 Yu. B. Ivanov , J. Knoll , D. N. Voskresensky

We describe quantum many--body systems in terms of projected entangled--pair states, which naturally extend matrix product states to two and more dimensions. We present an algorithm to determine correlation functions in an efficient way. We…

Strongly Correlated Electrons · Physics 2007-05-23 F. Verstraete , J. I. Cirac

Recently a novel approach to find approximate exchange-correlation functionals in density-functional theory (DFT) was presented (U. Mordovina et. al., JCTC 15, 5209 (2019)), which relies on approximations to the interacting wave function…

Chemical Physics · Physics 2021-03-04 Iris Theophilou , Teresa E. Reinhard , Angel Rubio , Michael Ruggenthaler

Many-body forces are sometimes a relevant ingredient in various fields, such as atomic, nuclear or hadronic physics. Their precise structure is generally difficult to uncover. So, phenomenological effective forces are often used in…

Quantum Physics · Physics 2018-07-19 Claude Semay , Guillaume Sicorello

One-body reduced density matrix functional theory (RDMFT) provides an alternative to Density Functional Theory (DFT), able to treat static correlation while keeping a relatively low computation scaling. Its disadvantageous cost comes mainly…

Chemical Physics · Physics 2024-05-07 Nicolas G. Cartier , Klaas J. H. Giesbertz

We extend the density matrix renormalization group to compute exact ground states of continuum many-electron systems in one dimension with long-range interactions. We find the exact ground state of a chain of 100 strongly correlated…

Strongly Correlated Electrons · Physics 2012-08-06 E. M. Stoudenmire , Lucas O. Wagner , Steven R. White , Kieron Burke

We discuss functional-integral approaches to far-from-equilibrium quantum many-body dynamics. Specific techniques considered include the two-particle-irreducible effective action and the real-time flow-equation approach. Different…

Quantum Gases · Physics 2015-03-17 Cédric Bodet , Matthias Kronenwett , Boris Nowak , Dénes Sexty , Thomas Gasenzer

The many-body space fractional quantum system is studied using the density matrix method. We give the new results of the Thomas-Fermi model, and obtain the quantum pressure of the free electron gas. We also show the validity of the…

Mathematical Physics · Physics 2011-06-27 Jianping Dong

Spin-current density functional theory (SCDFT) is a formally exact framework designed to handle the treatment of interacting many-electron systems including spin-orbit coupling at the level of the Pauli equation. In practice, robust and…

In approximate Kohn-Sham density-functional theory, self-interaction manifests itself as the dependence of the energy of an orbital on its fractional occupation. This unphysical behavior translates into qualitative and quantitative errors…

Materials Science · Physics 2010-09-28 Ismaila Dabo , Andrea Ferretti , Nicolas Poilvert , Yanli Li , Nicola Marzari , Matteo Cococcioni