Implementation of the Linear Method for the optimization of Jastrow-Feenberg and Backflow Correlations
arXiv:1412.0490 · doi:10.1016/j.cpc.2015.01.013
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.
arXiv commentsubmitted to the Comp. Phys. Comm
References in corpus (13)
- Generalized Lanczos Algorithm for Variational Quantum Monte Carlo
- Optimization of quantum Monte Carlo wave functions by energy minimization
- Wave function optimization in the variational Monte Carlo method
- Inhomogeneous backflow transformations in quantum Monte Carlo calculations
- Full optimization of Jastrow-Slater wave functions with application to the first-row atoms and homonuclear diatomic molecules
- Energy and variance optimization of many body wave functions
- Backflow Correlations for the Electron Gas and Metallic Hydrogen
- Algorithmic differentiation and the calculation of forces by quantum Monte Carlo
- Monte Carlo energy and variance minimization techniques for optimizing many-body wave functions
- Optimization of ground and excited state wavefunctions and van der Waals clusters
- Optimization of Quantum Monte Carlo Wave Functions Using Analytical Energy Derivatives
- Exact ground state Monte Carlo method for Bosons without importance sampling
- Electronic Quantum Monte Carlo Calculations of Atomic Forces, Vibrations, and Anharmonicities
Cited by in corpus (5)
- Dynamical structure factor of one-dimensional hard rods
- Quantum Monte Carlo study of the role of p-wave interactions in ultracold repulsive Fermi gases
- Exact restoration of Galilei invariance in density functional calculations with quantum Monte Carlo
- Roton excitations and the fluid-solid phase transition in superfluid 2D Yukawa Bosons
- A coordinated wavefunction for the ground state of liquid helium-4