We present a fully detailed and highly performing implementation of the Linear Method (Toulouse and 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(N3) in the number of particles N.
Implementation of the linear method for the optimization of Jastrow-Feenberg and backflow correlations / M. Motta, G. Bertaina, D.E. Galli, E. Vitali. - In: COMPUTER PHYSICS COMMUNICATIONS. - ISSN 0010-4655. - 190:(2015 May 01), pp. 62-71. [10.1016/j.cpc.2015.01.013]
Implementation of the linear method for the optimization of Jastrow-Feenberg and backflow correlations
M. MottaPrimo
;G. BertainaSecondo
;D.E. GalliPenultimo
;E. VitaliUltimo
2015
Abstract
We present a fully detailed and highly performing implementation of the Linear Method (Toulouse and 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(N3) in the number of particles N.
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