Abstract
Feynman path integral methods based on the Trotter approximation represent paths by a set of P discrete points. We prove that the M-point partition function is an upper bound of the P-point one if M is a divisor of P. Also for this case, we show that, during calculations using P-point paths, it is possible - at negligible additional cost - to obtain M-point estimators of the partition function that, for each individual path, converge monotonically. This permits accurate extrapolation to infinite P, which greatly improves the accuracy of calculations of thermodynamic quantities.
| Original language | English (US) |
|---|---|
| Pages (from-to) | 317-322 |
| Number of pages | 6 |
| Journal | Chemical Physics Letters |
| Volume | 378 |
| Issue number | 3-4 |
| DOIs | |
| State | Published - Sep 5 2003 |
Bibliographical note
Funding Information:This work was supported in part by the National Science Foundation.
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