Implementation of the linear method for the optimization of Jastrow-Feenberg and backflow correlations

DOI10.1016/J.CPC.2015.01.013zbMATH Open1344.81184arXiv1412.0490OpenAlexW2065692779MaRDI QIDQ311593FDOQ311593

Authors: G. Bertaina, D. E. Galli, E. Vitali, M. Motta 

Publication date: 13 September 2016

Published in: Computer Physics Communications (Search for Journal in Brave)

Abstract: We present a fully detailed and highly performing implementation of the Linear Method [J. Toulouse and C. J. Umrigar (2007)] to optimize Jastrow-Feenberg and Backflow Correlations in many-body wave-functions, which are widely used in condensed matter physics. We show that it is possible to implement such optimization scheme performing analytical derivatives of the wave-function with respect to the variational parameters achieving the best possible complexity O(N^3) in the number of particles N.

Full work available at URL: https://arxiv.org/abs/1412.0490

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zbMATH Keywords

optimizationquantum Monte Carlovariational Monte Carlo

Mathematics Subject Classification ID

Monte Carlo methods (65C05) Many-body theory; quantum Hall effect (81V70) Quantum equilibrium statistical mechanics (general) (82B10)

Cites Work

• Title not available (Why is that?)
• Title not available (Why is that?)
• An Algorithm for Least-Squares Estimation of Nonlinear Parameters
• A method for the solution of certain non-linear problems in least squares
• Title not available (Why is that?)
• The Collective Treatment of a Fermi Gas: II
• Title not available (Why is that?)
• The Collective Treatment of Many-body Systems: III

Cited In (5)

• Compressing multireference character of wave functions via fermionic mode optimization
• RTGW2020: an efficient implementation of the multi-orbital Gutzwiller method with general local interactions
• Optimization of quantum Monte Carlo wave function: steepest descent method
• A Kaczmarz-inspired approach to accelerate the optimization of neural network wavefunctions
• Geometry of backflow transformation ansatze for quantum many-body fermionic wavefunctions

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