Robust wave function optimization procedures in quantum Monte Carlo methods

@article{Bressanini2002RobustWF,
  title={Robust wave function optimization procedures in quantum Monte Carlo methods},
  author={D. Bressanini and G. Morosi and M. V. U. dell'Insubria and Italy and U. Milano},
  journal={Journal of Chemical Physics},
  year={2002},
  volume={116},
  pages={5345-5350}
}
The energy variance optimization algorithm over a fixed ensemble of configurations in variational Monte Carlo often encounters problems of convergence. Being formally identical to a problem of fitting data, we re-examine it from a statistical maximum-likelihood point of view. We show that the assumption of an underlying Gaussian distribution of the local energy, implicit in the standard variance minimization scheme, is not theoretically nor practically justified, and frequently generates… Expand
Heavy-tailed random error in quantum Monte Carlo.
  • J. Trail
  • Mathematics, Physics
  • Physical review. E, Statistical, nonlinear, and soft matter physics
  • 2008
Ab Initio Molecular Dynamics with Quantum Monte Carlo
Delayed rejection variational Monte Carlo.
...
1
2
3
4
5
...

References

SHOWING 1-10 OF 29 REFERENCES
Optimized trial wave functions for quantum Monte Carlo calculations.
...
1
2
3
...