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Finite-temperature DFT has become of topical interest, partly due to the increasing ability to create novel states of warm-correlated matter (WCM). Subclasses of WCM are Warm-dense matter (WDM), ultra-fast matter (UFM), and high-energy…

Chemical Physics · Physics 2016-03-15 M. W. C. Dharma-wardana

We present a variational density matrix approach to the thermal properties of interacting fermions in the continuum. The variational density matrix is parametrized by a permutation equivariant many-body unitary transformation together with…

Strongly Correlated Electrons · Physics 2022-04-04 Hao Xie , Linfeng Zhang , Lei Wang

The static density response of the uniform electron gas is of fundamental importance for numerous applications. Here, we employ the recently developed \textit{ab initio} permutation blocking path integral Monte Carlo (PB-PIMC) technique…

Strongly Correlated Electrons · Physics 2017-08-23 Tobias Dornheim , Simon Groth , Jan Vorberger , Michael Bonitz

We develop an all-electron path integral Monte Carlo (PIMC) method with free-particle nodes for warm dense matter and apply it to water and carbon plasmas. We thereby extend PIMC studies beyond hydrogen and helium to elements with core…

Materials Science · Physics 2012-03-22 Kevin Driver , Burkhard Militzer

Density matrix quantum Monte Carlo (DMQMC) is used to sample exact-on-average $N$-body density matrices for uniform electron gas systems of up to 10$^{124}$ matrix elements via a stochastic solution of the Bloch equation. The results of…

Strongly Correlated Electrons · Physics 2016-09-14 Fionn D. Malone , N. S. Blunt , Ethan W. Brown , D. K. K. Lee , J. S. Spencer , W. M. C. Foulkes , James J. Shepherd

The recently developed density matrix quantum Monte Carlo (DMQMC) algorithm stochastically samples the N -body thermal density matrix and hence provides access to exact properties of many-particle quantum systems at arbitrary temperatures.…

Strongly Correlated Electrons · Physics 2015-10-15 Fionn D. Malone , N. S. Blunt , James J. Shepherd , D. K. K. Lee , J. S. Spencer , W. M. C. Foulkes

We explore the recently introduced $\eta$-ensemble approach to compute the free energy directly from \emph{ab initio} path integral Monte Carlo (PIMC) simulations [T.~Dornheim \emph{et al.}, arXiv:2407.01044] and apply it to the archetypal…

Chemical Physics · Physics 2024-12-19 Tobias Dornheim , Panagiotis Tolias , Zhandos Moldabekov , Jan Vorberger

The quasiparticle effective mass $m^*$ of the three-dimensional uniform electron gas (UEG) is a fundamental Fermi-liquid parameter whose value and density dependence have remained controversial for decades. Using renormalized perturbation…

Strongly Correlated Electrons · Physics 2026-05-05 Pengcheng Hou , Daniel Cerkoney , Zhiyi Li , Tao Wang , Xiansheng Cai , Lei Wang , Gabriel Kotliar , Youjin Deng , Kun Chen

In this paper we define and study the classical Uniform Electron Gas (UEG), a system of infinitely many electrons whose density is constant everywhere in space. The UEG is defined differently from Jellium, which has a positive constant…

Mathematical Physics · Physics 2018-01-11 Mathieu Lewin , Elliott H. Lieb , Robert Seiringer

We introduce a new paradigm for one-dimensional uniform electron gases (UEGs). In this model, $n$ electrons are confined to a ring and interact via a bare Coulomb operator. We use Rayleigh-Schr\"odinger perturbation theory to show that, in…

Strongly Correlated Electrons · Physics 2013-08-19 Pierre-François Loos , Peter M. W. Gill

Being motivated by the surge of fermionic quantum Monte Carlo simulations at finite temperature, we present a detailed analysis of the permutation-cycle properties of path integral Monte Carlo (PIMC) simulations of degenerate electrons.…

Computational Physics · Physics 2019-07-24 Tobias Dornheim , Simon Groth , Alexei Filinov , Michael Bonitz

A unified approach valid for any wavenumber, frequency, and temperature is presented for uniform ideal quantum gases allowing for a comprehensive study of number density and particle-current density response functions. Exact analytical…

Quantum Gases · Physics 2015-05-14 J. Bosse , K. N. Pathak , G. S. Singh

We present quasi-exact ab initio path integral Monte Carlo (PIMC) results for the partial static density responses and local field factors of hydrogen in the warm dense matter regime, from solid density conditions to the strongly compressed…

The ab initio thermodynamic simulation of correlated Fermi systems is of central importance for many applications, such as warm dense matter, electrons in quantum dots, and ultracold atoms. Unfortunately, path integral Monte Carlo (PIMC)…

Computational Physics · Physics 2019-08-28 Tobias Dornheim

Warm dense matter (WDM) has emerged as one of the frontiers of both experimental and theoretical physics and is challenging traditional concepts of plasma, atomic, and condensed-matter physics. While it has become common practice to model…

Plasma Physics · Physics 2021-10-01 Zhandos Moldabekov , Tobias Dornheim , Maximilian Böhme , Jan Vorberger , Attila Cangi

The unitary Fermi gas (UFG) is a strongly correlated system of two-species (spin-1/2) fermions with a short-range attractive interaction modeled by a contact interaction and has attracted much interest across different disciplines. The UFG…

Quantum Gases · Physics 2024-08-30 S. Jensen , C. N. Gilbreth , Y. Alhassid

We show that the traditional concept of the uniform electron gas (UEG) --- a homogeneous system of finite density, consisting of an infinite number of electrons in an infinite volume --- is inadequate to model the UEGs that arise in finite…

Chemical Physics · Physics 2012-02-07 Peter M. W. Gill , Pierre-François Loos

In this work we study the correlation energy of the quantized electron gas of uniform density at temperature $T=0$. To do so we utilize methods from classical statistical mechanics. The basis for this is the Feynman path integral for the…

Statistical Mechanics · Physics 2016-09-21 Johan S. Høye , Enrique Lomba

The accurate description of non-ideal quantum many-body systems is of prime importance for a host of applications within physics, quantum chemistry, material science, and related disciplines. At finite temperatures, the gold standard is…

Precise understanding of strongly interacting fermions, from electrons in modern materials to nuclear matter, presents a major goal in modern physics. However, the theoretical description of interacting Fermi systems is usually plagued by…