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The recently proposed full configuration interaction quantum Monte Carlo method allows access to essentially exact ground-state energies of systems of interacting fermions substantially larger than previously tractable without knowledge of…

Computational Physics · Physics 2012-12-17 J. S. Spencer , N. S. Blunt , W. M. C. Foulkes

We present a finite-temperature canonical-ensemble determinant quantum Monte Carlo algorithm that enforces an exact fermion number and enables stable simulations of correlated lattice fermions. We propose a stabilized QR update that reduces…

Strongly Correlated Electrons · Physics 2026-01-21 Tu Hong , Kun Chen , Xiao Yan Xu

We propose a Monte Carlo algorithm designed to simulate quantum as well as classical systems at equilibrium, bridging the algorithmic gap between quantum and classical thermal simulation algorithms. The method is based on a novel…

Statistical Mechanics · Physics 2017-12-27 Tameem Albash , Gene Wagenbreth , Itay Hen

The new {\em ab initio} quantum path integral Monte Carlo approach has been developed and applied for the entropy difference calculations for the strongly coupled degenerated uniform electron gas (UEG), a well--known model of simple metals.…

Plasma Physics · Physics 2021-07-28 Vladimir Filinov , Pavel Levashov , Alexander Larkin

We study a one-dimensional two-component Fermi gas in a harmonic trapping potential using finite temperature lattice quantum Monte Carlo methods. We are able to compute observables in the canonical ensemble via an efficient projective…

Quantum Gases · Physics 2023-09-14 Felipe Attanasio , Marc Bauer , Renzo Kapust , Jan M. Pawlowski

Monte Carlo simulations are a powerful tool to investigate the thermodynamic properties of atomic systems. In practice however, sampling of the complete configuration space is often hindered by high energy barriers between different regions…

Statistical Mechanics · Physics 2020-05-04 Jonas A. Finkler , Stefan Goedecker

We study the dynamical fermionization of strongly interacting one-dimensional bosons in Tonks-Girardeau limit by solving the time dependent many-boson Schr\"odinger equation numerically exactly. We establish that the one-body momentum…

Quantum Gases · Physics 2024-02-02 Barnali Chakrabarti , Arnaldo Gammal , N D Chavda , Mantile Leslie Lekala

Recent successes in Monte Carlo methods for simulating fermionic quantum impurity models have been based on diagrammatic resummation techniques, but are restricted by the need to sum over factorially large classes of diagrams individually.…

Strongly Correlated Electrons · Physics 2018-10-03 Aviel Boag , Emanuel Gull , Guy Cohen

In recent years Quantum Monte Carlo techniques provided to be a valuable tool to study strongly interacting Fermi gases at zero temperature. We have used QMC methods to investigate several properties of the two-components Fermi gas at…

Quantum Gases · Physics 2015-06-18 Stefano Gandolfi

We study the collective association dynamics of a cold Fermi gas of $2N$ atoms in $M$ atomic modes into a single molecular bosonic mode. The many-body fermionic problem for $2^M$ amplitudes is effectively reduced to a dynamical system of…

Soft Condensed Matter · Physics 2015-06-24 I. Tikhonenkov , A. Vardi

Building on previous developments, we show that the Diagrammatic Monte Carlo technique allows to compute finite temperature response functions directly on the real-frequency axis within any field-theoretical formulation of the interacting…

Strongly Correlated Electrons · Physics 2021-07-19 I. S. Tupitsyn , A. M. Tsvelik , R. M. Konik , N. V. Prokof'ev

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

Application of diffusion Monte Carlo algorithm in three-body systems is studied. We develop a program and use it to calculate the property of various three-body systems. Regular Coulomb systems such as atoms, molecules and ions are…

Nuclear Theory · Physics 2018-04-23 Mengjiao Lyu , Zhongzhou Ren , Qihu Lin

We show that Monte Carlo sampling of the Feynman diagrammatic series (DiagMC) can be used for tackling hard fermionic quantum many-body problems in the thermodynamic limit by presenting accurate results for the repulsive Hubbard model in…

Strongly Correlated Electrons · Physics 2015-05-13 E. Kozik , K. Van Houcke , E. Gull , L. Pollet , N. Prokof'ev , B. Svistunov , M. Troyer

We perform a variational quantum Monte Carlo simulation of an interacting Fermi gas confined in a three dimensional harmonic potential. This gas is considered as the precursor system from which a molecular bosonic gas is formed. Based on…

Other Condensed Matter · Physics 2009-11-11 R. Jauregui , R. Paredes , G. Toledo Sanchez

Background: Idealised systems are commonly used in nuclear physics and condensed matter. For instance, the construction of nuclear energy density functionals involves properties of infinite matter, while neutron drops are used to test…

Nuclear Theory · Physics 2021-01-08 A. W. Bray , C. Simenel

Computing finite temperature properties of a quantum many-body system is key to describing a broad range of correlated quantum many-body physics from quantum chemistry and condensed matter to thermal quantum field theories. Quantum…

Quantum Physics · Physics 2023-08-16 Hai Wang , Jue Nan , Tao Zhang , Xingze Qiu , Wenlan Chen , Xiaopeng Li

For a system of spinless one-dimensional fermions, the non-vanishing short-range limit of two-body interaction is shown to induce the wave-function discontinuity. We prove the equivalence of this fermionic system and the bosonic particle…

Quantum Physics · Physics 2009-02-27 Taksu Cheon , T. Shigehara

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 propose efficient measurement procedures for the self-energy and vertex function of the Anderson impurity model within the hybridization expansion continuous-time quantum Monte Carlo algorithm. The method is based on the measurement of…

Strongly Correlated Electrons · Physics 2012-06-01 Hartmut Hafermann , Kelly R. Patton , Philipp Werner