Using an adaptive, importance sampling Monte Carlo algorithm, the free energy and equation of state of a soft sphere solid are calculated. The Monte Carlo integration technique to be described is unlike standard methods in that it can evaluate directly the partition function and consequently the fre
The free energy of spheres with dipoles: Monte Carlo with multistage sampling
β Scribed by G.N. Patey; J.P. Valleau
- Publisher
- Elsevier Science
- Year
- 1973
- Tongue
- English
- Weight
- 341 KB
- Volume
- 21
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
This reports some Monte Carlo free energy results for a fluid of point dipoles embedded in had spheres. The multistage sampling method is compared with thermodynamic integration techniques, The resulting free energies are also compared with recent theoretical results obtained from the mean spherical model approximation and From a perturbation theory approach.
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