Inverse Monte Carlo: Difference between revisions
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The uniqueness theorem is due to Henderson (Ref. 3). | The uniqueness theorem is due to Henderson (Ref. 3). | ||
== References == | == References == | ||
#[http://dx.doi.org/10.1103/PhysRevE.68.011202 N. G. Almarza and E. Lomba, "Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique", | #[http://dx.doi.org/10.1103/PhysRevE.68.011202 N. G. Almarza and E. Lomba, "Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique", Physical Review E '''68''' 011202 (6 pages) (2003)] | ||
#[http://dx.doi.org/10.1103/PhysRevE.70.021203 N. G. Almarza, E. Lomba, and D. Molina. "Determination of effective pair interactions from the structure factor", | #[http://dx.doi.org/10.1103/PhysRevE.70.021203 N. G. Almarza, E. Lomba, and D. Molina. "Determination of effective pair interactions from the structure factor", Physical Review E '''70''' 021203 (5 pages) (2004)] | ||
#[http://dx.doi.org/10.1016/0375-9601(74)90847-0 R. L. Henderson "A uniqueness theorem for fluid pair correlation functions", Physics Letters A '''49''' pp. 197-198 (1974)] | #[http://dx.doi.org/10.1016/0375-9601(74)90847-0 R. L. Henderson "A uniqueness theorem for fluid pair correlation functions", Physics Letters A '''49''' pp. 197-198 (1974)] | ||
#[http://dx.doi.org/10.1088/0953-8984/19/33/335220 Gergely Tóth, | #[http://dx.doi.org/10.1088/0953-8984/19/33/335220 Gergely Tóth, "Interactions from diffraction data: historical and comprehensive overview of simulation assisted methods", Journal of Physics: Condensed Matter '''19''' 335220 (2007)] | ||
[[category: Monte Carlo]] | [[category: Monte Carlo]] | ||
Revision as of 13:52, 9 August 2007
Inverse Monte Carlo refers to the numerical techniques to solve the so-called inverse problem in fluids. Given the structural information (distribution functions) the inverse Monte Carlo technique tries to compute the corresponding interaction potential.
More information can be found in the review by Gergely Tóth (See the references)
Uniqueness theorem
The uniqueness theorem is due to Henderson (Ref. 3).
References
- N. G. Almarza and E. Lomba, "Determination of the interaction potential from the pair distribution function: An inverse Monte Carlo technique", Physical Review E 68 011202 (6 pages) (2003)
- N. G. Almarza, E. Lomba, and D. Molina. "Determination of effective pair interactions from the structure factor", Physical Review E 70 021203 (5 pages) (2004)
- R. L. Henderson "A uniqueness theorem for fluid pair correlation functions", Physics Letters A 49 pp. 197-198 (1974)
- Gergely Tóth, "Interactions from diffraction data: historical and comprehensive overview of simulation assisted methods", Journal of Physics: Condensed Matter 19 335220 (2007)