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Compact and accurate wave functions can be constructed by quantum Monte Carlo methods. Typically, these wave functions consist of a sum of a small number of Slater determinants multiplied by a Jastrow factor. In this paper we study the…

Condensed Matter · Physics 2009-10-30 Chien-Jung Huang , C. J. Umrigar , M. P. Nightingale

Neural-network variational Monte Carlo (NNVMC) has emerged as a powerful tool for solving quantum many-body problems, yet systematic pathways for improving its accuracy remain largely heuristic. Here, we introduce a physically motivated…

Strongly Correlated Electrons · Physics 2026-04-20 Zhixuan Liu , Dongheng Qian , Jing Wang

We calculate the magnetic moments of light nuclei ($A < 20$) using the auxiliary field diffusion Monte Carlo method and local two- and three-nucleon forces with electromagnetic currents from chiral effective field theory. For all nuclei…

Nuclear Theory · Physics 2023-09-27 J. D. Martin , S. J. Novario , D. Lonardoni , J. Carlson , S. Gandolfi , I. Tews

Accurate ab initio calculations are of fundamental importance in physics, chemistry, biology, and materials science, which have witnessed rapid development in the last couple of years with the help of machine learning computational…

Chemical Physics · Physics 2022-10-27 Yubing Qian , Weizhong Fu , Weiluo Ren , Ji Chen

We report Quantum Monte Carlo calculations of weak transitions in $A\leq 10$ nuclei, based on the Norfolk two- and three-nucleon chiral interactions, and associated one- and two-body axial currents. We find that the contribution from…

Nuclear Theory · Physics 2020-08-26 G. B. King , L. Andreoli , S. Pastore , M. Piarulli , R. Schiavilla , R. B. Wiringa , J. Carlson , S. Gandolfi

Quantum Monte Carlo methods have proved very valuable to study the structure and reactions of light nuclei and nucleonic matter starting from realistic nuclear interactions and currents. These ab-initio calculations reproduce many low-lying…

A variational Monte Carlo method is used to generate sets of orthogonal trial functions, Psi_T(J^pi,T), for given quantum numbers in various light p-shell nuclei. These Psi_T are then used as input to Green's function Monte Carlo…

Nuclear Theory · Physics 2008-11-26 Steven C. Pieper , R. B. Wiringa , J. Carlson

In this work we develop tools that enable the study of non-adiabatic effects with variational and diffusion Monte Carlo methods. We introduce a highly accurate wave function ansatz for electron-ion systems that can involve a combination of…

Chemical Physics · Physics 2014-10-29 Norm M. Tubman , Ilkka Kylänpää , Sharon Hammes-Schiffer , David M. Ceperley

A quantitative understanding of neutrino-nucleus interactions is demanded to achieve precise measurement of neutrino oscillations, and hence the determination of their masses. In addition, next generation detectors will be able to detect…

Nuclear Theory · Physics 2016-12-21 Alessandro Lovato

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

We introduce a neural network-based approach for modeling wave functions that satisfy Bose-Einstein statistics. Applying this model to small $^4He_N$ clusters (with N ranging from 2 to 14 atoms), we accurately predict ground state energies,…

Atomic and Molecular Clusters · Physics 2023-12-20 William Freitas , S. A. Vitiello

A paramount goal in the field of nuclear physics is to unify ab-initio treatments of bound and unbound states. The position-space quantum Monte Carlo (QMC) methods have a long history of successful bound state calculations in light systems…

Nuclear Theory · Physics 2023-08-29 Abraham R. Flores , Kenneth M. Nollett

Constructing more expressive ansatz has been a primary focus for quantum Monte Carlo, aimed at more accurate \textit{ab initio} calculations. However, with more powerful ansatz, e.g. various recent developed models based on neural-network…

Computational Physics · Physics 2023-08-07 Weizhong Fu , Weiluo Ren , Ji Chen

We present the first quantum Monte Carlo (QMC) calculations with chiral effective field theory (EFT) interactions. To achieve this, we remove all sources of nonlocality, which hamper the inclusion in QMC calculations, in nuclear forces to…

Nuclear Theory · Physics 2013-07-24 A. Gezerlis , I. Tews , E. Epelbaum , S. Gandolfi , K. Hebeler , A. Nogga , A. Schwenk

The Green's function Monte Carlo (GFMC) method provides accurate solutions to the nuclear many-body problem and predicts properties of light nuclei starting from realistic two- and three-body interactions. Controlling the GFMC fermion-sign…

Nuclear Theory · Physics 2023-04-07 Gurtej Kanwar , Alessandro Lovato , Noemi Rocco , Michael Wagman

The construction of trial wave functions based on neural networks combined with the variational Monte Carlo method is discussed. The mathematical formulation for representing quantum states as artificial neural networks is introduced. The…

Computational Physics · Physics 2026-05-19 William Freitas

We investigate the accuracy of trial wave function for quantum Monte Carlo based on pfaffian functional form with singlet and triplet pairing. Using a set of first row atoms and molecules we find that these wave functions provide very…

Other Condensed Matter · Physics 2009-02-20 M. Bajdich , L. Mitas , G. Drobný , L. K. Wagner , K. E. Schmidt

A quantum Monte Carlo method is introduced to optimize excited state trial wavefunctions. The method is applied in a correlation function Monte Carlo calculation to compute ground and excited state energies of bosonic van der Waals clusters…

Computational Physics · Physics 2009-11-06 M. P. Nightingale , Vilen Melik-Alaverdian

Variational quantum calculations have borrowed many tools and algorithms from the machine learning community in the recent years. Leveraging great expressive power and efficient gradient-based optimization, researchers have shown that trial…

Disordered Systems and Neural Networks · Physics 2024-08-19 Matija Medvidović , Javier Robledo Moreno

We discuss differences and similarities between variational Monte Carlo approaches that use conventional and artificial neural network parameterizations of the ground-state wave function for systems of fermions. We focus on a relatively…

Mesoscale and Nanoscale Physics · Physics 2025-01-13 Even M. Nordhagen , Jane M. Kim , Bryce Fore , Alessandro Lovato , Morten Hjorth-Jensen