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The self consistent version of the density functional theory (DFT) is presented, which allows to calculate the ground state and dynamic properties of finite multi-electron systems such as atoms, molecules and clusters. The exact functional…

Condensed Matter · Physics 2007-05-23 M. Ya. Amusia , V. R. Shaginyan

A novel dielectric scheme is proposed for strongly coupled electron liquids that handles quantum mechanical effects beyond the random phase approximation level and treats electronic correlations within the integral equation theory of…

Statistical Mechanics · Physics 2023-04-12 Panagiotis Tolias , Federico Lucco Castello , Tobias Dornheim

We present a novel method for precise numerical solution of the irreducible two-body problem and apply it to excitons in solids. The approach is based on the Monte Carlo simulation of the two-body Green function specified by Feynman's…

Strongly Correlated Electrons · Physics 2009-11-07 E. A. Burovski , A. S. Mishchenko , N. V. Prokof'ev , B. V. Svistunov

In a recent Letter [T. Dornheim et al., Phys. Rev. Lett. 121, 255001 (2018)] we have presented the first ab initio results for the dynamic structure factor $S(\mathbf{q},\omega)$ of the uniform electron gas for conditions ranging from the…

Plasma Physics · Physics 2019-06-19 Simon Groth , Tobias Dornheim , Jan Vorberger

We carry out extensive direct path integral Monte Carlo (PIMC) simulations of the uniform electron gas (UEG) at finite temperature for different values of the spin-polarization $\xi$. This allows us to unambiguously quantify the impact of…

Computational Physics · Physics 2021-12-01 Tobias Dornheim , Jan Vorberger , Burkhard Militzer , Zhandos A. Moldabekov

Transport and the approach to equilibrium in interacting classical and quantum systems is a challenging problem of both theoretical and experimental interest. One useful organizing principle characterizing equilibration is the dissipative…

Statistical Mechanics · Physics 2024-08-27 Alexios A. Michailidis , Dmitry A. Abanin , Luca V. Delacrétaz

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

Lattice gauge theories coupled to fermionic matter account for many interesting phenomena in both high energy physics and condensed matter physics. Certain regimes, e.g. at finite fermion density, are difficult to simulate with traditional…

High Energy Physics - Lattice · Physics 2023-11-16 Julian Bender , Patrick Emonts , J. Ignacio Cirac

The strongly coupled electron liquid provides a unique opportunity to study the complex interplay of strong coupling with quantum degeneracy effects and thermal excitations. To this end, we carry out extensive \textit{ab initio} path…

Computational Physics · Physics 2020-02-05 Tobias Dornheim , Travis Sjostrom , Shigenori Tanaka , Jan Vorberger

We consider two large polaron systems that are described by a Fr\"{o}hlich type of Hamiltonian, namely the Bose-Einstein condensate (BEC) polaron in the continuum and the acoustic polaron in a solid. We present ground-state energies of…

The effectiveness of the variational approach a la Feynman is proved in the spin-boson model, i.e. the simplest realization of the Caldeira-Leggett model able to reveal the quantum phase transition from delocalized to localized states and…

Statistical Mechanics · Physics 2020-06-24 G. De Filippis , A. de Candia , L. M. Cangemi , M. Sassetti , R. Fazio , V. Cataudella

In a recent Letter [T.~Dornheim \emph{et al.}, Phys.~Rev.~Lett.~\textbf{125}, 085001 (2020)], we have presented the first \emph{ab initio} results for the nonlinear density response of electrons in the warm dense matter regime. In the…

Plasma Physics · Physics 2021-06-08 Tobias Dornheim , Zhandos Moldabekov , Jan Vorberger

This work derives exact solutions to the problem of interacting particle density evolution in relativistic and quasi-relativistic approximations for electromagnetic and gravitational interactions. Two types of radial symmetry for the…

Mathematical Physics · Physics 2025-10-20 E. E. Perepelkin , B. I. Sadovnikov , N. G. Inozemtseva , I. Yu. Baibara

We present a simple trick that allows to consider the sum of all connected Feynman diagrams at fixed position of interaction vertices for general fermionic models. With our approach one achieves superior performance compared to Diagrammatic…

Strongly Correlated Electrons · Physics 2017-08-02 Riccardo Rossi

We present calculations of the energy, pair correlation function (PCF), static structure factor (SSF), and momentum density (MD) for the one-dimensional electron gas using the quantum Monte Carlo method. We are able to resolve peaks in the…

Strongly Correlated Electrons · Physics 2011-06-28 R. M. Lee , N. D. Drummond

Analytic mathematical models for the static spin ($G_-$) and density ($G_+$) local field factors for the uniform electron gas (UEG) as functions of wavevector and density are presented. These models closely fit recent quantum Monte Carlo…

Strongly Correlated Electrons · Physics 2023-06-14 Aaron D. Kaplan , Carl A. Kukkonen

Quantum Monte Carlo (QMC) methods are some of the most accurate methods for simulating correlated electronic systems. We investigate the compatibility, strengths and weaknesses of two such methods, namely, diffusion Monte Carlo (DMC) and…

Computational Physics · Physics 2020-10-14 Fionn D. Malone , Anouar Benali , Miguel A. Morales , Michel Caffarel , P. R. C. Kent , Luke Shulenburger

In quantum information theory, there is an explicit mapping between general unitary dynamics and Hermitian ground state eigenvalue problems known as the Feynman-Kitaev Clock. A prominent family of methods for the study of quantum ground…

Quantum Physics · Physics 2015-01-14 Jarrod R. McClean , Alán Aspuru-Guzik

Density fitting is used throughout quantum chemistry to simplify the electron-electron interaction energy (EE). A fundamental property of quantum chemistry, and DFT in particular, is that a variational principle connects the EE to a…

Materials Science · Physics 2016-06-08 Brett I Dunlap , Mark C Palenik

In 1971, Feynman et al. published a paper on hadronic mass spectra and transition rates based on the quark model. Their starting point was a Lorentz-invariant differential equation. This equation can be separated into a Klein-Gordon…

Quantum Physics · Physics 2009-09-14 Y. S. Kim