Optimal Energy Estimation in Path-Integral Monte Carlo Simulations
arXiv:cond-mat/9710117 · doi:10.1063/1.474309
Abstract
We investigate the properties of two standard energy estimators used in path-integral Monte Carlo simulations. By disentangling the variance of the estimators and their autocorrelation times we analyse the dependence of the performance on the update algorithm and present a detailed comparison of refined update schemes such as multigrid and staging techniques. We show that a proper combination of the two estimators leads to a further reduction of the statistical error of the estimated energy with respect to the better of the two without extra cost.
45 pp. LaTeX, 22 Postscript Figures
References in corpus (4)
- Application of Multicanonical Multigrid Monte Carlo Method to the Two-Dimensional -Model: Autocorrelations and Interface Tension
- Multicanonical Multigrid Monte Carlo
- Multigrid Method versus Staging Algorithm for PIMC Simulations
- Test of variational approximation for quantum chain by Monte Carlo simulation
Cited by in corpus (15)
- The Fermion Sign Problem in Path Integral Monte Carlo Simulations: Quantum Dots, Ultracold Atoms, and Warm Dense Matter
- High order Chin actions in path integral Monte Carlo
- Higher order and infinite Trotter-number extrapolations in path integral Monte Carlo
- Path integral virial estimator based on the scaling of fluctuation coordinates: Application to quantum clusters with fourth-order propagators
- Heat capacity estimators for random series path-integral methods by finite-difference schemes
- Fermion Sign Problem in Path Integral Monte Carlo Simulations: Grand-canonical ensemble
- Error estimation and reduction with cross correlations
- Cross-correlations in scaling analyses of phase transitions
- Energy estimators for random series path-integral methods
- Fast Convergence of Path Integrals for Many-body Systems
- Ab initio Path Integral Monte Carlo Simulations of Quantum Dipole Systems in Traps: Superfluidity, Quantum Statistics, and Structural Properties
- Path-integral virial estimator for reaction rate calculation based on the quantum instanton approximation
- Energy Estimators and Calculation of Energy Expectation Values in the Path Integral Formalism
- Energy response and spatial alignment of the perturbed electron gas
- Revisiting the properties of superfluid and normal liquid He using ab initio potentials