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We present a method for optimizing the location of the fermion ground-state nodes using a combination of diffusion Monte Carlo (DMC) and projected gradient descent (PGD). A PGD iteration shifts the parameters of an arbitrary node-fixing…

Computational Physics · Physics 2022-04-06 John McFarland , Efstratios Manousakis

We introduce the fermionized time-dependent Hartree-Fock (fTDHF), a real-time quantum dynamics method for spin-1/2 Hamiltonians following their mapping to fermions via the Jordan-Wigner transformation. fTDHF is formally equivalent to exact…

Strongly Correlated Electrons · Physics 2026-05-25 Rishab Dutta , Marc Illa , Niranjan Govind , Karol Kowalski

We demonstrate that extending the Shadow Wave Function to fermionic systems facilitates to accurately calculate strongly-correlated multi-reference systems such as the stretched H2 molecule. This development considerably extends the scope…

Computational Physics · Physics 2015-09-14 F. Calcavecchia , T. D. Kühne

Fermionic Molecular Dynamics (FMD) models a system of fermions by means of many-body states which are composed of antisymmetrized products of single-particle states. These consist of one or several Gaussians localized in coordinate and…

Nuclear Theory · Physics 2007-05-23 H. Feldmeier , T. Neff , R. Roth , J. Schnack

Quantum many-body systems realise many different phases of matter characterised by their exotic emergent phenomena. While some simple versions of these properties can occur in systems of free fermions, their occurrence generally implies…

Strongly Correlated Electrons · Physics 2019-10-04 Samuel Spillard , Christopher J. Turner , Konstantinos Meichanetzidis

We use path-\-integral methods to derive the ground state wave functions of a number of two-\-dimensional fermion field theories and related systems in one-\-dimensional many body physics. We derive the exact wave function for the…

High Energy Physics - Theory · Physics 2010-11-01 Eduardo Fradkin , Enrique Moreno , Fidel A. Schaposnik

An algorithm to compute efficiently the first two derivatives of (very) large multideterminant wavefunctions for quantum Monte Carlo calculations is presented. The calculation of determinants and their derivatives is performed using the…

Chemical Physics · Physics 2017-04-20 Anthony Scemama , Thomas Applencourt , Emmanuel Giner , Michel Caffarel

Seismic waves bring information from the physical properties of the earth to the surface. Full waveform inversion (FWI) is a local optimization technique which tries to invert the recorded wave fields to the physical properties. An…

Geophysics · Physics 2017-12-27 Nasser Kazemi

We present numerical methods to solve the Generalized Hartree-Fock theory for fermionic systems in lattices, both in thermal equilibrium and out of equilibrium. Specifically, we show how to determine the covariance matrix corresponding to…

Quantum Physics · Physics 2013-04-10 Christina V. Kraus , J. Ignacio Cirac

We study the discretized worldsheet of Type IIB strings in the Gubser-Klebanov-Polyakov background in a new setup, which eliminates a complex phase previously detected in the fermionic determinant. A sign ambiguity remains, which a study of…

High Energy Physics - Theory · Physics 2020-02-19 Lorenzo Bianchi , Valentina Forini , Björn Leder , Philipp Töpfer , Edoardo Vescovi

We report a ground-state solution for the two-dimensional fermionic Hubbard model, which is obtained via a numerical variational method. The two ingredients in this approach are tensor network states and the time-evolving block decimation.…

Strongly Correlated Electrons · Physics 2014-04-29 Myung-Hoon Chung

We show that using the multisplitting algorithm as a preconditioner for conjugate gradient inversion of the domain wall fermion Dirac operator could effectively reduce the inter-node communication cost, at the expense of performing more…

High Energy Physics - Lattice · Physics 2018-11-22 Jiqun Tu

Fermionic non-Gaussianity quantifies a quantum state's deviation from a classically tractable free-fermionic description, constituting a necessary resource for computational quantum advantage. Here we use fermionic antiflatness (FAF) to…

Quantum Physics · Physics 2026-02-03 Pedro R. Nicácio Falcão , Jakub Zakrzewski , Piotr Sierant

Fermionic Gaussian operators are foundational tools in quantum many-body theory, numerical simulation of fermionic dynamics, and fermionic linear optics. While their structure is fully determined by two-point correlations, evaluating their…

Quantum Physics · Physics 2025-06-04 M. A. Rajabpour , MirAdel Seifi MirJafarlou , Reyhaneh Khasseh

In contrast to the determinant, no algorithm is known for the exact determination of the permanent of a square matrix that runs in time polynomial in its dimension. Consequently, non interacting fermions are classically efficiently…

Quantum Physics · Physics 2023-07-21 Abhijeet Alase , Owen Doty , David L. Feder

Performing large-scale, accurate quantum simulations of many-fermion systems is a central challenge in quantum science, with applications in chemistry, materials, and high-energy physics. Despite significant progress, realizing generic…

Quantum Physics · Physics 2025-09-12 Nishad Maskara , Marcin Kalinowski , Daniel Gonzalez-Cuadra , Mikhail D. Lukin

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

We investigate the ground-state phase diagram of the two-dimensional Hubbard model based on the optimization variational Monte Carlo method. We use a wave function that is an off-diagonal type given as $\psi=\exp(-\lambda K)P_G\psi_0$,…

Strongly Correlated Electrons · Physics 2019-04-11 Takashi Yanagisawa

We show how a ground state trial wavefunction of a Fermi liquid can be systematically improved introducing a sequence of renormalized coordinates through an iterative backflow transformation. We apply this scheme to calculate the ground…

Strongly Correlated Electrons · Physics 2015-06-23 Michele Taddei , Michele Ruggeri , Saverio Moroni , Markus Holzmann

Explicit treatment of many-body Fermi statistics in path integral Monte Carlo (PIMC) results in exponentially scaling computational cost due to the near cancellation of contributions to observables from even and odd permutations. Through…

Strongly Correlated Electrons · Physics 2014-09-12 Jonathan L DuBois , Ethan W. Brown , Berni J. Alder