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In a recent Letter we introduced Hellmann-Feynman operator sampling in diffusion Monte Carlo calculations. Here we derive, by evaluating the second derivative of the total energy, an efficient method for the calculation of the static…

Other Condensed Matter · Physics 2015-05-13 R. Gaudoin , J. M. Pitarke

We perform \emph{ab initio} quantum Monte Carlo (QMC) simulations of the warm dense uniform electron gas in the thermodynamic limit. By combining QMC data with linear response theory we are able to remove finite-size errors from the…

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

The thermodynamical ground-state properties and static response in both cold atoms at or close to unitarity and neutron matter are determined using a recently proposed Density Functional Theory (DFT) based on the s-wave scattering length…

Nuclear Theory · Physics 2018-01-10 Antoine Boulet , Denis Lacroix

The linear response of the nucleus to an external field contains unique information about the effective interaction, correlations, and properties of its excited states. To characterize the response, it is useful to use its energy-weighted…

Nuclear Theory · Physics 2015-04-28 Nobuo Hinohara , Markus Kortelainen , Witold Nazarewicz , Erik Olsen

In light of the forthcoming high precision quasielastic electron scattering data from Jefferson Lab, it is timely for the various approaches to nuclear structure to make robust predictions for the associated response functions. With this in…

Nuclear Theory · Physics 2016-01-27 Ian C. Cloët , Wolfgang Bentz , Anthony W. Thomas

The quantum Monte Carlo (QMC) is one of the most promising many-body electronic structure approaches. It employs stochastic techniques for solving the stationary Schr\" odinger equation and for evaluation of expectation values. The key…

Other Condensed Matter · Physics 2007-12-20 Michal Bajdich

Neutron matter, through its connection to neutron stars as well as systems like cold atom gases, is one of the most interesting yet computationally accessible systems in nuclear physics. The Configuration-Interaction Monte Carlo (CIMC)…

Nuclear Theory · Physics 2023-04-19 Pierre Arthuis , Carlo Barbieri , Francesco Pederiva , Alessandro Roggero

We review an approach where the energy functional of Density-Functional Theory (DFT) can be determined without empiricism via a Quantum Monte Carlo (QMC) procedure. The idea consists of a nested iterative loop where the configurational…

Strongly Correlated Electrons · Physics 2017-11-22 Luigi Delle Site

We apply diffusion quantum Monte Carlo (DMC) to a broad set of solids, benchmarking the method by comparing bulk structural properties (equilibrium volume and bulk modulus) to experiment and DFT based theories. The test set includes…

Materials Science · Physics 2015-06-17 Luke Shulenburger , Thomas R. Mattsson

A new Monte-Carlo based uncertainty analysis is introduced to quantitatively determine the predictive ability of QCD sum rules. A comprehensive analysis of ground state rho-meson and nucleon spectral properties is performed. Many of the…

Nuclear Theory · Physics 2011-05-05 Derek B. Leinweber

We study the spin response of cold dense neutron matter in the limit of zero momentum transfer, and show that the frequency dependence of the long-wavelength spin response is well constrained by sum-rules and the asymptotic behavior of the…

Nuclear Theory · Physics 2013-02-19 G. Shen , S. Gandolfi , S. Reddy , J. Carlson

The properties of low-density neutron matter are important for the understanding of neutron star crusts and the exterior of large neutron-rich nuclei. We examine various properties of dilute neutron matter using quantum Monte Carlo methods,…

Nuclear Theory · Physics 2010-05-07 Alexandros Gezerlis , J. Carlson

Abstract (abridged edition): Properties of the relativistic nucleon self-energy decomposition of the symmetry energy as well as the equation of state (EOS) of pure neutron matter (PNM) are explored systematically within the QCD sum rules…

Nuclear Theory · Physics 2019-08-14 Bao-Jun Cai , Lie-Wen Chen

A new density dependent effective baryon-baryon interaction has been recently derived from the quark-meson-coupling (QMC) model, offering impressive results in application to finite nuclei and dense baryon matter. This self-consistent,…

Nuclear Theory · Physics 2008-11-26 J. Rikovska-Stone , P. A. M. Guichon , H. H. Matevosyan , A. W. Thomas

We report results of fully non-perturbative, Path Integral Monte Carlo (PIMC) calculations for dilute neutron matter. The neutron-neutron interaction in the s channel is parameterized by the scattering length and the effective range. We…

Nuclear Theory · Physics 2011-02-21 Gabriel Wlazlowski , Piotr Magierski

Quantum Monte Carlo (QMC) is an advanced simulation methodology for studies of manybody quantum systems. In this review, we focus on the electronic structure QMC, i.e., methods relevant for systems described by the electron-ion…

Other Condensed Matter · Physics 2010-08-16 Michal Bajdich , Lubos Mitas

Point defects are of interest for many applications, from quantum sensing to modifying bulk properties of materials. Because of their localized orbitals, the electronic states are often strongly correlated, which has led to a proliferation…

Strongly Correlated Electrons · Physics 2025-05-05 Kevin G. Kleiner , Sonali Joshi , Woncheol Lee , Alexander Hampel , Malte Rösner , Cyrus E. Dreyer , Lucas K. Wagner

We present an ab-initio study of neutron drops. We use Quantum Monte Carlo techniques to calculate the energy up to 54 neutrons in different external potentials, and we compare the results with Skyrme forces. We also calculate the rms radii…

Nuclear Theory · Physics 2015-06-11 Stefano Gandolfi

We calculate the equation of state of neutron matter with realistic two- and three-nucleon interactions using quantum Monte Carlo techniques, and illustrate that the short-range three-neutron interaction determines the correlation between…

Nuclear Theory · Physics 2012-03-15 S. Gandolfi , J. Carlson , Sanjay Reddy