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Related papers: Exact Density Functionals in One Dimension

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Using a Markov chain approach we rederive the exact density functional for hard rod mixtures on a one-dimensional lattice, which forms the basis of the lattice fundamental measure theory. The transition probability in the Markov chain…

Statistical Mechanics · Physics 2015-06-03 Benaoumeur Bakhti , Stephan Schott , Philipp Maass

We put forward a general procedure to obtain an approximate free energy density functional for any hard-core lattice gas, regardless of the shape of the particles, the underlying lattice or the dimension of the system. The procedure is…

Statistical Mechanics · Physics 2007-05-23 Luis Lafuente , Jose A. Cuesta

We derive exact density functionals for systems of hard rods with first-neighbor interactions of arbitrary shape but limited range on a one-dimensional lattice. The size of all rods is the same integer unit of the lattice constant. The…

Statistical Mechanics · Physics 2013-12-17 Benaoumeur Bakhti , Gerhard Müller , Philipp Maass

We present the extension of Rosenfeld's fundamental measure theory to lattice models by constructing a density functional for d-dimensional mixtures of parallel hard hypercubes on a simple hypercubic lattice. The one-dimensional case is…

Soft Condensed Matter · Physics 2016-08-31 Luis Lafuente , Jose A. Cuesta

We propose a systematic procedure for the approximation of density functionals in density functional theory that consists of two parts. First, for the efficient approximation of a general density functional, we introduce an efficient ansatz…

Strongly Correlated Electrons · Physics 2016-08-29 Michael Lubasch , Johanna I. Fuks , Heiko Appel , Angel Rubio , J. Ignacio Cirac , Mari-Carmen Bañuls

To speak about fundamental measure theory obliges to mention dimensional crossover. This feature, inherent to the systems themselves, was incorporated in the theory almost from the beginning. Although at first it was thought to be a…

Statistical Mechanics · Physics 2009-11-10 Luis Lafuente , Jose A. Cuesta

A simple method to obtain a canonical partition function for one dimensional lattice gas model is presented. The simplification is based upon rewriting a sum over all possible configurations to a sum over numbers of clusters in the system.

Statistical Mechanics · Physics 2009-10-31 Juraj Vavro

We propose a model for a two dimensional, associative water-like lattice gas with one single variable representing both long and short-range interactions. The corresponding hamiltonian was solved exactly, by state enumeration in a finite…

Statistical Mechanics · Physics 2011-11-21 Marcelo R. Thielo , Marcia C. B. Barbosa

We present a new method to describe the kinetics of driven lattice gases with particle-particle interactions beyond hard-core exclusions. The method is based on the time-dependent density functional theory for lattice systems and allows one…

Statistical Mechanics · Physics 2015-05-20 Marcel Dierl , Philipp Maass , Mario Einax

A density functional theory is developed for fermions in one dimension, interacting via a delta-function. Such systems provide a natural testing ground for questions of principle, as the local density approximation should work well for…

Other Condensed Matter · Physics 2007-05-23 R. J. Magyar , K. Burke

We propose a density functional to find the ground state energy and density of interacting particles, where both the density and the pair density can adjust in the presence of an inhomogeneous potential. As a proof of principle we formulate…

Strongly Correlated Electrons · Physics 2015-06-11 J. Lorenzana , Z. -J. Ying , V. Brosco

We investigate the geometry of typical equilibrium configurations for a lattice gas in a finite macroscopic domain with attractive, long range Kac potentials. We focus on the case when the system is below the critical temperature and has a…

Statistical Mechanics · Physics 2011-04-28 E. A. Carlen , R. Esposito , J. L. Lebowitz , R. Marra

We study one-dimensional lattice systems with pair-wise interactions of infinite range. We show projective convergence of Markov measures to the unique equilibrium state. For this purpose we impose a slightly stronger condition than…

Mathematical Physics · Physics 2016-11-26 Cesar Maldonado , Raul Salgado-Garcia

In the present work, we employ exact diagonalization for model systems on a real-space lattice to explicitly construct the exact density-to-potential and for the first time the exact density-to-wavefunction map that underly the…

Chemical Physics · Physics 2016-08-24 Tanja Dimitrov , Heiko Appel , Johanna I. Fuks , Angel Rubio

A stochastic minimization method for a real-space wavefunction, $\Psi({\bf r}_{1},{\bf r}_{2}\ldots{\bf r}_{n})$, constrained to a chosen density, $\rho({\bf r})$, is developed. It enables the explicit calculation of the Levy constrained…

Chemical Physics · Physics 2017-10-03 Paula Mori-Sánchez , Aron J. Cohen

We construct a density functional for the lattice gas / Ising model on square and cubic lattices based on lattice fundamental measure theory. In order to treat the nearest-neighbor attractions between the lattice gas particles, the model is…

Statistical Mechanics · Physics 2021-08-25 M. Maeritz , M. Oettel

A recently developed quasi two-dimensional exact-exchange formalism within the framework of Density Functional Theory has been applied to a strongly inhomogeneous interacting electron gas, and the results were compared with state-of-the-art…

Condensed Matter · Physics 2009-11-07 S. Rigamonti , F. A. Reboredo , C. R. Proetto

A density functional theory (DFT) of lattice fermion models is presented, which uses the single-particle density matrix gamma_{ij} as basic variable. A simple, explicit approximation to the interaction-energy functional W[gamma] of the…

Strongly Correlated Electrons · Physics 2009-11-07 R. Lopez-Sandoval , G. M. Pastor

We formulate a set of equations that facilitate an exact numerical solution of the Kohn-Sham potential for a finite Hubbard chain with nearest neighbour hopping and arbitrary site potentials. The approach relies on a mapping of the…

Strongly Correlated Electrons · Physics 2018-10-25 Kossi Amouzouvi , Daniel Joubert

We study the system of trapped two-component Fermi gases with zero-range interaction in two dimensions (2D) or one dimension (1D). We calculate the one-particle density matrices of these systems at small displacements, from which we show…

Quantum Gases · Physics 2024-02-08 Jiansen Zhang , Shina Tan
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