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

@article{Motta2015ImplementationOT,
  title={Implementation of the linear method for the optimization of Jastrow-Feenberg and backflow correlations},
  author={Mario Motta and G. Bertaina and Davide Emilio Galli and Ettore Vitali},
  journal={Comput. Phys. Commun.},
  year={2015},
  volume={190},
  pages={62-71}
}
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References

SHOWING 1-10 OF 80 REFERENCES
Alleviation of the Fermion-sign problem by optimization of many-body wave functions
We present a simple, robust, and highly efficient method for optimizing all parameters of many-body wave functions in quantum Monte Carlo calculations, applicable to continuum systems and lattice…
Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules.
TLDR
The linear optimization method can be thought of as a so-called augmented Hessian approach, which helps explain the robustness of the method and permits it to extend it to minimize a linear combination of the energy and the energy variance.
Wave function optimization in the variational Monte Carlo method
An appropriate iterative scheme for the minimization of the energy, based on the variational Monte Carlo (VMC) technique, is introduced and compared with existing stochastic schemes. We test the…
Variational Monte Carlo calculations of liquid /sup 4/He with three-body correlations
The first Monte Carlo calculations explicitly employing triplet correlations in the variational wave function for the ground state of $^{4}\mathrm{He}$ are presented. A significant lowering of energy…
Energy and variance optimization of many-body wave functions.
TLDR
A simple, robust, and efficient method for varying the parameters in a many-body wave function to optimize the expectation value of the energy, which is compared to what is currently the most popular method for optimizing many- body wave functions, namely, minimization of the variance of the local energy.
Structure of the ground state of a fermion fluid
Variational many-body wave functions for the ground state of liquid /sup 3/He which include triplet and backflow correlations are investigated with use of Monte Carlo integration. Our energy of…
Inhomogeneous backflow transformations in quantum Monte Carlo calculations.
TLDR
It is found that inhomogeneous backflow transformations can provide a substantial increase in the amount of correlation energy retrieved within VMC and DMC calculations.
The Collective Treatment of Many-body Systems: III
In a previous paper a trial wave function of the form ψ = DIIi<if(xij) was used variationally to calculate the ground-state energy of an interacting electron gas, D being a determinant of plane waves…
The Collective Treatment of a Fermi Gas: II
The ground state energy of the free electron gas is calculated using the Rayleigh-Schrodinger variational method with the wave function ψ=DΠi<jf(xij) where D is a determinant of plane waves and…
Fermion Monte Carlo algorithms and liquid 3He.
TLDR
The first mirror potential GFMC calculations in a many-fermion problem are reported, comparing them with transient estimation and fixed-node studies to illustrate the strengths and weaknesses of each.
...
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2
3
4
5
...