Implementation of the Linear Method for the optimization of Jastrow-Feenberg and Backflow Correlations
M. Motta, G. Bertaina, D. E. Galli, and E. Vitali
TL;DR
This paper details a highly efficient implementation of the Linear Method for optimizing Jastrow-Feenberg and Backflow correlations in many-body wave-functions, achieving optimal computational complexity.
Contribution
It introduces a fully detailed implementation of the Linear Method with analytical derivatives, optimizing complex correlations in many-body wave-functions efficiently.
Findings
Achieves O(N^3) complexity in optimization.
Enables precise optimization of correlations in wave-functions.
Provides a practical framework for condensed matter simulations.
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.
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