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Orbital-free density functional theory (OF-DFT) constitutes a computationally highly effective tool for modeling electronic structures of systems ranging from room-temperature materials to warm dense matter. Its accuracy critically depends…

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

Massless and massive scalar fields and massless spinor fields are considered at arbitrary temperatures in four dimensional ultrastatic curved spacetime. Scalar models under consideration can be either conformal or nonconformal and include…

High Energy Physics - Theory · Physics 2016-08-25 Yu. V. Gusev , A. I Zelnikov

The spectral functions of tJ and tJ_{XY} models in the limit of J/t-> 0 and at finite temperatures T>>t are calculated using the spin-charge factorized wave function. We find that the Luttinger-liquid like scaling behavior for a finite…

Strongly Correlated Electrons · Physics 2009-10-30 Karlo Penc , Mohammed Serhan

In this thesis we investigate finite size effects in 1+1 dimensional integrable QFT. In particular we consider matrix elements of local operators (finite volume form factors) and vacuum expectation values and correlation functions at finite…

High Energy Physics - Theory · Physics 2009-07-27 Balázs Pozsgay

We calculate the dynamic single-particle and many-particle correlation functions at non-zero temperature in one-dimensional trapped repulsive Bose gases. The decay for increasing distance between the points of these correlation functions is…

Statistical Mechanics · Physics 2009-11-10 N. M. Bogoliubov , R. K. Bullough , C. Malyshev , J. Timonen

Many-electron systems at substantial finite temperatures and densities present a major challenge to density functional theory. Very little is known about the free-energy behavior over the temperature range of interest, for example, in the…

Materials Science · Physics 2012-01-25 Travis Sjostrom , Frank E. Harris , S. B. Trickey

The decay rate for a particle in a metastable cubic potential is investigated in the quantum regime by the Euclidean path integral method in semiclassical approximation. The imaginary time formalism allows one to monitor the system as a…

Statistical Mechanics · Physics 2008-04-22 Marco Zoli

Finite temperature properties of a non-Fermi liquid system is one of the most challenging probelms in current understanding of strongly correlated electron systems. The paradigmatic arena for studying non-Fermi liquids is in one dimension,…

Strongly Correlated Electrons · Physics 2018-07-18 Garry Bowen , Miklos Gulacsi

Classical density functional theory for finite temperatures is usually formulated in the grand-canonical ensemble where arbitrary variations of the local density are possible. However, in many cases the systems of interest are closed with…

Statistical Mechanics · Physics 2022-04-06 James F. Lutsko

We address the problem of interacting electrons in an external potential by introducing the occupied spectral density $\rho(\mathbf{r},\omega)$ as fundamental variable. First, we formulate the problem using an embedding framework, and prove…

Materials Science · Physics 2025-08-26 Andrea Ferretti , Nicola Marzari

Density scaling has a rich history in density functional theory, providing exact conditions for use in the construction of ever more accurate approximations to the unknown exchange-correlation functional. We define a conjugate potential…

Other Condensed Matter · Physics 2009-06-02 Peter Elliott , Kieron Burke

Smooth, highly accurate analytical representations of Fermi-Dirac (FD) integral combinations important in free-energy density functional calculations are presented. Specific forms include those that occur in the local density approximation…

Computational Physics · Physics 2015-04-21 Valentin V. Karasiev , Debajit Chakraborty , S. B. Trickey

We initiate an approach to constraining conformal field theory (CFT) data at finite temperature using methods inspired by the conformal bootstrap for vacuum correlation functions. We focus on thermal one- and two-point functions of local…

High Energy Physics - Theory · Physics 2018-11-14 Luca Iliesiu , Murat Koloğlu , Raghu Mahajan , Eric Perlmutter , David Simmons-Duffin

A new reference state for density functional theory, termed the independent atom ansatz, is introduced in this work. This ansatz allows for the exact representation of electron density in terms of non-interacting, atom-localized orbitals.…

Chemical Physics · Physics 2024-05-03 Alexander V. Mironenko

The behavior of the finite-temperature C-function, defined by Neto and Fradkin [Nucl. Phys. B {\bf 400}, 525 (1993)], is analyzed within a d -dimensional exactly solvable lattice model, recently proposed by Vojta [Phys. Rev. B {\bf 53}, 710…

Statistical Mechanics · Physics 2008-11-26 Daniel M. Danchev , Nicholay S. Tonchev

Effects of explicit temperature dependence in the exchange-correlation (XC) free-energy functional upon calculated properties of matter in the warm dense regime are investigated. The comparison is between the KSDT finite-temperature local…

Materials Science · Physics 2016-06-29 Valentin V. Karasiev , Lázaro Calderín , S. B. Trickey

The paper is concerned with proving the equivalence of convexity or concavity properties of thermodynamic functions, such as energy and entropy, depending on different sets of variables. These variables are the basic thermodynamic state…

Analysis of PDEs · Mathematics 2025-10-29 Mária Lukáčová-Medvid'ová , Ferdinand Thein , Gerald Warnecke , Yuhuan Yuan

We present closed analytical expressions for the particle and kinetic energy spatial densities at finite temperatures for a system of noninteracting fermions (bosons) trapped in a d-dimensional harmonic oscillator potential. For d=2 and 3,…

Statistical Mechanics · Physics 2009-11-07 Brandon P. van Zyl , Rajat K. Bhaduri , Akira Suzuki , Matthias Brack

The one electron spectral functions for the Luttinger model are discussed for large but finite systems. The methods presented allow a simple interpretation of the results. For finite range interactions interesting nonunivesal spectral…

Condensed Matter · Physics 2009-10-22 K. Schönhammer , V. Meden