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An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the various methods for the 1D Heisenberg ring…

Strongly Correlated Electrons · Physics 2009-11-11 Sandro Sorella

Understanding superfluidity remains a major goal of condensed matter physics. Here we tackle this challenge utilizing the recently developed Fermionic neural network (FermiNet) wave function Ansatz [D. Pfau et al., Phys. Rev. Res. 2, 033429…

Variational Monte Carlo calculations of the quasielectron and quasihole excitation energies in the fractional quantum Hall effect have been carried out at filling fractions $\nu=1/3$, 1/5, and 1/7. For the quasielectron both the trial wave…

Mesoscale and Nanoscale Physics · Physics 2009-10-31 V. Melik-Alaverdian , N. E. Bonesteel

We propose a new variational Monte Carlo (VMC) method with an energy variance extrapolation for large-scale shell-model calculations. This variational Monte Carlo is a stochastic optimization method with a projected correlated condensed…

Nuclear Theory · Physics 2012-02-14 Takahiro Mizusaki , Noritaka Shimizu

The short-range modes of the fermionic determinant can be absorbed in the gauge action using the loop expansion. The coefficients of this expansion and the zeroes of the polynomial approximating the remainder can be optimized by a simple,…

High Energy Physics - Lattice · Physics 2009-10-31 Ph. de Forcrand

In this work, within the framework of path integral Monte Carlo, we construct a pseudo-fermion propagator by replacing the original fermionic determinant with its absolute value. This modified propagator defines an auxiliary system free…

Computational Physics · Physics 2026-03-31 Yunuo Xiong , Hongwei Xiong

Understanding the computational complexity of quantum states is a central challenge in quantum many-body physics. In qubit systems, fermionic Gaussian states can be efficiently simulated on classical computers and hence can be employed as a…

Quantum Physics · Physics 2026-01-07 Piotr Sierant , Paolo Stornati , Xhek Turkeshi

Computation of ionic forces using quantum Monte Carlo methods has long been a challenge. We introduce a simple procedure, based on known properties of physical electronic densities, to make the variance of the Hellmann-Feynman estimator…

Computational Physics · Physics 2007-05-23 Simone Chiesa , David Ceperley , Shiwei Zhang

We compute the energy per particle of normal liquid ${}^3$He in the temperature range $0.15-2$ K using Path Integral Monte Carlo simulations, leveraging a recently proposed method to overcome the sign problem -- a long-standing challenge in…

Quantum Gases · Physics 2025-02-12 Tommaso Morresi , Giovanni Garberoglio

With our recently proposed effective Hamiltonian via Monte Carlo, we are able to compute low energy physics of quantum systems. The advantage is that we can obtain not only the spectrum of ground and excited states, but also wave functions.…

High Energy Physics - Lattice · Physics 2015-06-25 Xiang-Qian Luo , C. Q. Huang , J. Q. Jiang , H. Jirari , H. Kroeger , K. Moriarty

We introduce an efficient and numerically stable technique to make use of a BCS trial wave function in the computation of correlation functions of strongly correlated quantum fermion systems. The technique is applicable to any projection…

Strongly Correlated Electrons · Physics 2019-08-28 Ettore Vitali , Peter Rosenberg , Shiwei Zhang

The Wigner function, which provides a phase-space description of quantum systems, has various applications in quantum mechanics, quantum kinetic theory, quantum optics, radiation transport and others. The concept of Wigner function has been…

High Energy Physics - Theory · Physics 2013-04-05 Stanislaw Mrowczynski

Neural network parametrizations have increasingly been used to represent the ground and excited states in variational Monte Carlo (VMC) with promising results. However, traditional VMC methods only optimize the wave function in regions of…

Computational Physics · Physics 2025-07-03 Huan Zhang , Robert J. Webber , Michael Lindsey , Timothy C. Berkelbach , Jonathan Weare

We consider a system of three particles, either three identical bosons or two identical fermions plus an impurity, within a three-dimensional isotropic trap interacting via a contact interaction. Using two approaches, one using an infinite…

Quantum Gases · Physics 2024-05-03 A. D. Kerin , A. M. Martin

Accurately predicting the formation energy of a compound, which describes its thermodynamic stability, is a key challenge in materials physics. Here, we employ many-body quantum Monte Carlo (QMC) with single-reference trial functions to…

The wavefunction of an incommensurate ground state for a one-dimensional discrete sine-Gordon model -- the Frenkel-Kontorova (FK) model -- at zero temperature is calculated by the quantum Monte Carlo method. It is found that the ground…

Condensed Matter · Physics 2009-10-31 Bambi Hu , Baowen Li

Recording field ion microscope images under field evaporating conditions and subsequently reconstructing the underlying atomic configuration, called three-dimensional field ion microscopy (3D-FIM) is one of the few techniques capable of…

Materials Science · Physics 2023-02-01 Shyam Katnagallu , Christoph Freysoldt , Baptiste Gault , Jörg Neugebauer

Numerical results for the energy spectra of $N$ electrons on a spherical surface are used as input data to determine the quasiparticle energies and the pairwise ``Fermi liquid'' interactions of composite Fermion (CF) excitations in…

Condensed Matter · Physics 2009-10-28 P. Sitko , S. N. Yi , K. S. Yi , J. J. Quinn

We demonstrate that formulating the composite-fermion theory of the fractional quantum Hall (FQH) effect in terms of quaternions greatly expands its reach and opens the door into many interesting issues that were previously beyond the reach…

Strongly Correlated Electrons · Physics 2025-05-30 Mytraya Gattu , J. K. Jain

We propose a novel algorithm for calculating the ground-state energy of quantum many-body systems by combining auxiliary-field quantum Monte Carlo (AFQMC) with tensor-train sketching. In AFQMC, a good trial wavefunction to guide the random…

Numerical Analysis · Mathematics 2026-02-17 Ziang Yu , Shiwei Zhang , Yuehaw Khoo
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