Comment on “A comparison of the efficiency of Fourier- and discrete time-path integral Monte Carlo” [J. Chem. Phys. 109 , 2123 (1998)]
We examine the efficiency of the partial averaged Fourier path integral method for a model of the (H2)22 system. We show errors in thermodynamic average energies asymptotically approach zero as the inverse of the square of the number of path variables. Using common estimators, we also find the effic...
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Veröffentlicht in: | The Journal of chemical physics 1999-10, Vol.111 (16), p.7685-7686 |
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Hauptverfasser: | , |
Format: | Artikel |
Sprache: | eng |
Online-Zugang: | Volltext |
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Zusammenfassung: | We examine the efficiency of the partial averaged Fourier path integral method for a model of the (H2)22 system. We show errors in thermodynamic average energies asymptotically approach zero as the inverse of the square of the number of path variables. Using common estimators, we also find the efficiency of the Fourier method for the (H2)22 application comparable to that reported recently [J. Chem. Phys. 109, 2123 (1998)] for effective-potential, discretized approaches. |
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ISSN: | 0021-9606 1089-7690 |
DOI: | 10.1063/1.480094 |