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We present an alternative to the Kohn-Sham formulation of density functional theory for the ground-state properties of strongly interacting electronic systems. The idea is to start from the limit of zero kinetic energy and systematically…

Strongly Correlated Electrons · Physics 2015-05-13 Paola Gori-Giorgi , Michael Seidl , G. Vignale

By introducing the self-energy density functionals for the dissipative interactions between the reduced system and its environment, we develop a time-dependent density-functional theory formalism based on an equation of motion for the…

Quantum Physics · Physics 2009-11-13 Xiao Zheng , Fan Wang , Chi Yung Yam , Yan Mo , GuanHua Chen

Local density approximation for the exchange energy is made for treatment of excited-states in density-functional theory. It is shown that taking care of the state-dependence of the LDA exchange energy functional leads to accurate…

Other Condensed Matter · Physics 2007-05-23 Manoj K. Harbola , Prasanjit Samal

Explaining quantum many-body dynamics is a long-held goal of physics. A rigorous operator algebraic theory of dynamics in locally interacting systems in any dimension is provided here in terms of time-dependent equilibrium (Gibbs)…

Statistical Mechanics · Physics 2023-08-08 Berislav Buča

The Lieb-Robinson theorem states that locality is approximately preserved in the dynamics of quantum lattice systems. Whenever one has finite-dimensional constituents, observables evolving in time under a local Hamiltonian will essentially…

Quantum Physics · Physics 2010-03-03 M. Cramer , A. Serafini , J. Eisert

We discuss a possible form for a theory akin to local density functional theory, but able to produce van der Waals energies in a natural fashion. The usual Local Density Approximation (LDA) for the exchange and correlation energy $E_{xc}$…

Soft Condensed Matter · Physics 2007-05-23 John F. Dobson

A generalization of the Kohn--Sham approach is derived where the correlation-energy functional depends on the one-particle density matrix of noninteracting states and on the external potential from the interacting target-state. The…

Chemical Physics · Physics 2007-05-23 James P. Finley

The knowledge of a series expansion of the equation of state provides a deep insight into the physical nature of a quantum system. Starting from a generic ``perturbative'' equation of state of a homogeneous ultracold gas we make predictions…

Strongly Correlated Electrons · Physics 2009-11-11 G. E. Astrakharchik

The finite temperature dynamical response function including the dynamical local field is derived within a quasiparticle picture for interacting one-, two- and three dimensional Fermi systems. The correlations are assumed to be given by a…

Strongly Correlated Electrons · Physics 2009-11-07 Klaus Morawetz

A variational formulation for the calculation of interacting fermion systems based on the density-matrix functional theory is presented. Our formalism provides for a natural integration of explicit many-particle effects into standard…

Strongly Correlated Electrons · Physics 2013-05-29 Peter E. Bloechl , Christian F. J. Walther , Thomas Pruschke

The partition function and free energy of a quantum many-body system determine its physical properties in thermal equilibrium. Here we study the computational complexity of approximating these quantities for $n$-qubit local Hamiltonians.…

Quantum Physics · Physics 2023-09-22 Sergey Bravyi , Anirban Chowdhury , David Gosset , Pawel Wocjan

We use the exact strong-interaction limit of the Hohenberg-Kohn energy density functional to approximate the exchange-correlation energy of the restricted Kohn-Sham scheme. Our approximation corresponds to a highly non-local density…

Strongly Correlated Electrons · Physics 2012-12-12 Francesc Malet , Paola Gori-Giorgi

In local effective potential theories of electronic structure, the electron correlations due to the Pauli exclusion principle, Coulomb repulsion, and correlation-kinetic effects, are all incorporated in the local electron-interaction…

Materials Science · Physics 2007-05-23 Zhixin Qian , Viraht Sahni

Thermodynamics relies on the possibility to describe systems composed of a large number of constituents in terms of few macroscopic variables. Its foundations are rooted into the paradigm of statistical mechanics, where thermal properties…

Quantum Physics · Physics 2016-10-04 Antonella De Pasquale , Davide Rossini , Rosario Fazio , Vittorio Giovannetti

Enhanced experimental capabilities to control nonlocal and power-law decaying interactions are currently fuelling intense research in the domain of quantum many-body physics. Compared to their counterparts with short-ranged interactions,…

Statistical Mechanics · Physics 2025-09-16 Robert Mattes , Igor Lesanovsky , Federico Carollo

A high-throughput benchmarking technique for testing the performance of different exchange-correlation functionals and pseudopotentials is proposed and applied to bulk SnS. It is shown that, contrary to the popular view that the local…

Materials Science · Physics 2023-05-22 Stefanos Giaremis , Joseph Kioseoglou , Eleni Chatzikyriakou

A relativistic quantum field theory is presented for finite density problems based on the principle of locality. It is found that, in addition to the conventional ones, a local approach to the relativistic quantum field theories at both…

High Energy Physics - Theory · Physics 2014-11-18 S. Ying

We derive expressions for the expectation values of the local energy and the local power transferred by an external electrical field to a many-particle system of interacting spinless electrons. In analogy with the definition of the (local)…

Quantum Physics · Physics 2016-06-22 Guillermo Albareda , Fabio Lorenzo Traversa , Xavier Oriols

The ultimate precision of any measurement of the temperature of a quantum system is the inverse of the local quantum thermal susceptibility [De Pasquale et al., Nature Communications 7, 12782 (2016)] of the subsystem with whom the…

Quantum Physics · Physics 2017-05-24 Giacomo De Palma , Antonella De Pasquale , Vittorio Giovannetti

Based on the Schrodinger equation, exact expressions for the non-relativistic particle energy in the local external field and the external field potential are derived as inhomogeneous density functionals. On this basis, it is shown that,…

Statistical Mechanics · Physics 2011-03-24 V. B. Bobrov , S. A. Trigger