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We propose an accurate variational Monte Carlo method applicable in the presence of the strong spin-orbit interaction. Our variational wave functions consist of generalized Pfaffian-Slater wave functions that involve mixtures of singlet and…

Strongly Correlated Electrons · Physics 2015-11-10 Moyuru Kurita , Youhei Yamaji , Satoshi Morita , Masatoshi Imada

Background: The Hartree-Fock mean-field approximation is standard in combination with energy density functionals (EDF) that account for some dynamical correlations. Breaking and restoring the symmetries of the system allow for the inclusion…

Nuclear Theory · Physics 2023-11-20 Joshua Cesca , Cédric Simenel

We find that for the pure Coulomb repulsion the composite Fermi sea at $\nu=1/2$ is on the verge of an instability to triplet pairing of composite fermions. It is argued that a transition into the paired state, described by a Pfaffian wave…

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

We develop a quantum Monte Carlo method to estimate the ground-state energy of a fermionic many-particle system in the configuration-interaction shell model approach. The fermionic sign problem is circumvented by using a guiding wave…

Nuclear Theory · Physics 2015-06-15 Abhishek Mukherjee , Y. Alhassid

We propose trial wave functions for quasiparticle and exciton excitations of the Moore-Read Pfaffian fractional quantum Hall states, both for bosons and for fermions, and study these numerically. Our construction of trial wave functions…

Strongly Correlated Electrons · Physics 2026-02-03 I. D. Rodriguez , A. Sterdyniak , M. Hermanns , J. K. Slingerland , N. Regnault

Neural-network wave functions in Variational Monte Carlo (VMC) have achieved great success in accurately representing both ground and excited states. However, achieving sufficient numerical accuracy in state overlaps requires increasing the…

Machine Learning · Computer Science 2026-05-28 Nicholas Gao , Till Grutschus , Frank Noé , Stephan Günnemann

We describe the computational ingredients for an approach to treat interacting fermion systems in the presence of pairing fields, based on path-integrals in the space of Hartree-Fock-Bogoliubov (HFB) wave functions. The path-integrals can…

Strongly Correlated Electrons · Physics 2017-01-30 Hao Shi , Shiwei Zhang

A recently developed Quantum Monte Carlo algorithm based on the stochastic evolution of Hartree-Fock states has been applied to compute the static correlation functions of a one-dimensional model of attractively interacting two component…

Atomic Physics · Physics 2009-11-10 Yvan Castin , Iacopo Carusotto

Kitaev's Pfaffian formula equates the ground-state fermion parity of a closed system to the sign of the Pfaffian of the Hamiltonian in the Majorana basis. Using Klich's theory of full counting statistics for paired fermions we generalize…

Mesoscale and Nanoscale Physics · Physics 2019-11-06 A. Grabsch , Y. Cheipesh , C. W. J. Beenakker

Variational wave functions used in the variational Monte Carlo (VMC) method are extensively improved to overcome the biases coming from the assumed variational form of the wave functions. We construct a highly generalized variational form…

Strongly Correlated Electrons · Physics 2008-10-27 Daisuke Tahara , Masatoshi Imada

In the paper [7] we studied the temporally inhomogeneous system of non-colliding Brownian motions and proved that multi-time correlation functions are generally given by the quaternion determinants in the sense of Dyson and Mehta. In this…

Probability · Mathematics 2007-05-23 Makoto Katori

Traditional multiconfiguration Hartree-Fock (MCHF) and configuration interaction (CI) methods are based on a single orthonormal orbital basis (OB). For atoms with complicated shell structures, a large OB is needed to saturate all the…

Atomic Physics · Physics 2015-06-12 S. Verdebout , P. Rynkun , P. Jönsson , G. Gaigalas , C. Froese Fischer , M. Godefroid

To make useful connections with experimental measurements, correlated electronic structure theories must accurately predict chemical properties in addition to energies. We present a finite-difference based algorithm to compute first-order…

Chemical Physics · Physics 2025-09-24 Leon Otis , Sri Gudivada , Marvin Friede , James Shee

We present the first open access version of the QMeCha (Quantum MeCha) code, a quantum Monte Carlo (QMC) package developed to study many-body interactions between different types of quantum particles, with a modular and easy-to-expand…

For finite quantum many-particle systems modeled with say $m$ fermions in $N$ single particle states and interacting with $k$-body interactions ($k \leq m$), the wavefunction structure is studied using random matrix theory. Hamiltonian for…

Quantum Physics · Physics 2021-11-17 V. K. B. Kota , Manan Vyas

In previous work devoted to {\it ab initio} calculations of hyperfine structure constants in nitrogen and fluorine atoms, we observed sizeable relativistic effects, a priori unexpected for such light systems, that can even largely dominate…

Atomic Physics · Physics 2021-08-04 Fatima Zahra Boualili , Messaoud Nemouchi , Michel Godefroid , Per Jönsson

A diffusion Monte Carlo algorithm is introduced that can determine the correct nodal structure of the wave function of a few-fermion system and its ground-state energy without an uncontrolled bias. This is achieved by confining signed…

Computational Physics · Physics 2020-02-05 Alexander A. Kunitsa , So Hirata

Recently developed neural network-based \emph{ab-initio} solutions (Pfau et. al arxiv:1909.02487v2) for finding ground states of fermionic systems can generate state-of-the-art results on a broad class of systems. In this work, we improve…

Chemical Physics · Physics 2021-03-26 Max Wilson , Nicholas Gao , Filip Wudarski , Eleanor Rieffel , Norm M. Tubman

Coalescing particles on a line merge when they meet. As they do, their basins of attraction merge and the walls between basins disappear. If every site is initially occupied, these walls at any positive time form a Pfaffian point process:…

Probability · Mathematics 2026-03-10 Piotr Śniady

In this study, we explore how a fermion-antifermion ($f\overline{f}$) pair interacts via an exponentially decaying potential. Using a covariant one-time two-body Dirac equation, we examine their relative motion in a three-dimensional flat…

Quantum Physics · Physics 2025-02-10 Abdullah Guvendi , Semra Gurtas Dogan , Omar Mustafa