# Wavelet formulation of path integral Monte Carlo

## Related Articles

- Path integral grand canonical Monte Carlo. Qinyu Wang; Johnson, J. Karl // Journal of Chemical Physics;10/1/1997, Vol. 107 Issue 13, p5108
Derives real-space path integral formulations of Widom's test particle method and grand canonical Monte Carlo (GCMC). Application of simulation methods to hydrogen and neon at various temperatures; Exploration of configuration space efficiently and ergodically; Multiple time step hybrid Monte...

- Optimal energy estimation in path-integral Monte Carlo simulations. Janke, Wolfhard; Sauer, Tilman // Journal of Chemical Physics;10/15/1997, Vol. 107 Issue 15, p5821
Investigates properties of two standard energy estimators used in path-integral Monte Carlo simulations. Variance of the estimators and their autocorrelation times; Comparison of refined update schemes such as multigrid and staging technique; Benefits of a proper combination of two energy...

- A partial averaging strategy for low temperature Fourier path integral Monte Carlo calculations. Lobaugh, John; Voth, Gregory A. // Journal of Chemical Physics;9/15/1992, Vol. 97 Issue 6, p4205
Partial averaging is a powerful technique for enhancing the convergence of Fourier path integral Monte Carlo with respect to the number of Fourier coefficients included in the calculation. In the original partial averaging method, a Fourier sine series expansion of the Feynman paths was...

- A path integral ground state method. Sarsa, A.; Schmidt, K. E.; Schmidt, K.E.; Magro, W. R.; Magro, W.R. // Journal of Chemical Physics;7/22/2000, Vol. 113 Issue 4
Ground state expectation values are obtained by using a path integral ground state Monte Carlo method. The method allows calculations of ground state expectation values without the extrapolations often used with Green's function and diffusion Monte Carlo methods. We compare our results with...

- Extraction of ground state properties by discretized path integral formulations. Kono, H.; Takasaka, A.; Lin, S. H. // Journal of Chemical Physics;9/1/1988, Vol. 89 Issue 5, p3233
We offer a way of determining the temperature range in which a path integral (PI) formulation of the quantum partition function works well and a way of calculating the ground state properties without employing extremely low temperatures (in order to elude the awkward problem that the quantities...

- Landau free energy curves for melting of quantum solids. Chakravarty, C.; Lynden-Bell, R. M. // Journal of Chemical Physics;11/22/2000, Vol. 113 Issue 20
Path integral Monte Carlo simulations are used to study quantum Lennard-Jones solids and to examine the dependence of the melting temperature on the degree of quantum delocalization. To determine the solid-liquid coexistence conditions and metastability limits, an umbrella sampling strategy is...

- Adsorption and separation of hydrogen isotopes in carbon nanotubes: Multicomponent grand canonical Monte Carlo simulations. Challa, Sivakumar R.; Sholl, David S.; Johnson, J. Karl // Journal of Chemical Physics;1/8/2002, Vol. 116 Issue 2, p814
Adsorption isotherms of hydrogen isotopes from molecular simulations in carbon nanotubes and interstices are presented. The adsorption of pure isotopes follows Henryâ€™s law up to moderate coverages. A modified path integral grand canonical Monte Carlo (PI-GCMC) technique for mixture...

- Convergence and path cancellation in quantum Monte Carlo real time path integration. Gentile, Ann C.; Evensky, David A.; Durant, Joseph L.; Brown, Nancy J.; Koszykowski, Michael L. // Journal of Chemical Physics;11/1/1996, Vol. 105 Issue 17, p7613
We find that poor resolution of the tails of the distribution of integrands obtained inhibits convergence in Monte Carlo calculation of real time path integrals. We show that many methods previously tried to improve convergence neither resolve nor diminish the tails effectively. We find that...

- Instantaneous normal mode spectra of quantum clusters. Chakravarty, Charusita; Ramaswamy, Ramakrishna // Journal of Chemical Physics;4/1/1997, Vol. 106 Issue 13, p5564
Focuses on the spectrum of instantaneous normal mode (INM) frequencies of the finite Lennard-Jones clusters as a function of the extent of quantum delocalization. Sampling of configurations from the equilibrium distribution by a Fourier path integral Monte Carlo procedure; View that INM spectra...