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Warm dense matter is a highly active research area both at the frontier and interface of material science and plasma physics. We assess the performance of commonly used exchange-correlation (XC) approximation (LDA, PBE, PBEsol, and AM05) in…

Plasma Physics · Physics 2022-01-25 Zhandos Moldabekov , Tobias Dornheim , Jan Vorberger , Attila Cangi

According to time-dependent density functional theory, the exact exchange-correlation kernel f$_{xc}$(n, q, $\omega$) determines not only the ground-state energy but also the excited-state energies/lifetimes and time-dependent linear…

Chemical Physics · Physics 2020-07-01 Adrienn Ruzsinszky , Niraj K. Nepal , J. M. Pitarke , John P. Perdew

Two of the most influential ideas developed by Richard Feynman are the Feynman diagram technique and his variational approach. The former provides a powerful tool to construct a systematic expansion for a generic interacting system, while…

Materials Science · Physics 2019-05-15 Kun Chen , Kristjan Haule

Exactly solvable models of ultracold Fermi gases are reviewed via their thermodynamic Bethe Ansatz solution. Analytical and numerical results are obtained for the thermodynamics and ground state properties of two- and three-component…

Quantum Gases · Physics 2015-05-20 Murray T. Batchelor , Angela Foerster , Xiwen Guan , Carlos C. N. Kuhn

The recently discovered universal thermodynamic behaviour of dilute, strongly interacting Fermi gases also implies a universal structure in the many-body pair-correlation function at short distances, as quantified by the contact ${\cal I}$.…

Quantum Gases · Physics 2011-07-06 Hui Hu , Xia-Ji Liu , Peter D. Drummond

The quasiparticle effective mass $m^\ast$ of interacting electrons is a fundamental quantity in the Fermi liquid theory. However, the precise value of the effective mass of uniform electron gas is still elusive after decades of research.…

Statistical Mechanics · Physics 2023-06-16 Hao Xie , Linfeng Zhang , Lei Wang

Ensemble Density Functional Theory (EDFT) is a generalization of ground-state Density Functional Theory (GS DFT), which is based on an exact formal theory of finite collections of a system's ground and excited states. EDFT in various forms…

Materials Science · Physics 2024-08-27 Remi J. Leano , Aurora Pribram-Jones , David A. Strubbe

Equilibrium properties of infinite relativistic hadron matter are investigated using the Ultrarelativistic Quantum Molecular Dynamics (UrQMD) model. The simulations are performed in a box with periodic boundary conditions. Equilibration…

The dielectric response and structural properties of finite-temperature electron liquids are central to accurately describing the physical behavior of electronic systems. This study presents a robust analytical model for the static…

Plasma Physics · Physics 2026-03-19 Chengliang Lin , Yong Hou , Jianmin Yuan , Yong Wu , Jianguo Wang

We investigate strongly correlated many-body systems composed of bosons and fermions with a fully quantum treatment using the path-integral ground state method, PIGS. To account for the Fermi-Dirac statistics, we implement the fixed-node…

Quantum Gases · Physics 2023-05-10 Sebastian Ujevick , V. Zampronio , B. R. de Abreu , S. A. Vitiello

Quantum Monte Carlo belongs to the most accurate simulation techniques for quantum many-particle systems. However, for fermions, these simulations are hampered by the sign problem that prohibits simulations in the regime of strong…

Computational Physics · Physics 2020-10-28 A. Yilmaz , K. Hunger , T. Dornheim , S. Groth , M. Bonitz

A new type of disorder-driven electronic percolation transition is found for two-dimensional electron gas (2DEG), based on a quantum cellular automaton model. This transition is shown to be accompanied with a metal-insulator transition, as…

Statistical Mechanics · Physics 2018-10-17 M. N. Najafi

We perform all-electron path integral Monte Carlo (PIMC) and density functional theory molecular dynamics (DFT-MD) calculations to explore warm dense matter states of oxygen. Our simulations cover a wide density-temperature range of…

Plasma Physics · Physics 2016-01-22 K. P. Driver , F. Soubiran , Shuai Zhang , B. Militzer

We investigate the viability of the phaseless finite temperature auxiliary field quantum Monte Carlo (ph-FT-AFQMC) method for ab initio systems using the uniform electron gas as a model. Through comparisons with exact results and finite…

Chemical Physics · Physics 2021-02-15 Joonho Lee , Miguel A. Morales , Fionn D. Malone

Simulation of warm dense matter requires computational methods that capture both quantum and classical behavior efficiently under high-temperature, high-density conditions. Currently, density functional theory molecular dynamics is used to…

Chemical Physics · Physics 2015-10-21 Attila Cangi , Aurora Pribram-Jones

We adopt the fixed node restricted path integral Monte Carlo method within the "Worm algorithm" to simulate Wigner's Jellium model at finite, non zero, temperatures using free-particle nodes of the density matrix. The new element is that we…

Strongly Correlated Electrons · Physics 2022-09-30 Riccardo Fantoni

Finite-temperature orbital-free density functional theory (FT-OFDFT) holds significant promise for simulating warm dense matter due to its favorable scaling with both system size and temperature. However, the lack of the numerically…

Computational Physics · Physics 2024-12-04 Cheng Ma , Min Chen , Yu Xie , Qiang Xu , Wenhui Mi , Yanchao Wang , Yanming Ma

We study the finite-temperature thermodynamics of a unitary Fermi gas. The chemical potential, energy density and entropy are given analytically with the quasi-linear approximation. The ground state energy agrees with previous theoretical…

Quantum Gases · Physics 2009-04-24 Fang Qin , Ji-sheng Chen

Ab initio path integral Monte Carlo (PIMC) simulations constitute the gold standard for the estimation of a broad range of equilibrium properties of a host of interacting quantum many-body systems spanning conditions from ultracold atoms to…

Chemical Physics · Physics 2025-08-27 Paul Hamann , Jan Vorberger , Tobias Dornheim

Warm dense matter is a highly energetic phase characterized by strong correlations, thermal effects, and quantum effects of electrons. Thermal density functional theory is commonly used in simulations of this challenging phase, driving the…

Strongly Correlated Electrons · Physics 2025-09-10 Brittany P. Harding , Francisca Sagredo , Vincent Martinetto , Aurora Pribram-Jones
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