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http://acervodigital.unesp.br/handle/11449/8700Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | da Silva, FLB | - |
| dc.contributor.author | Svensson, B. | - |
| dc.contributor.author | Akesson, T. | - |
| dc.contributor.author | Jonsson, B. | - |
| dc.date.accessioned | 2014-05-20T13:26:48Z | - |
| dc.date.available | 2014-05-20T13:26:48Z | - |
| dc.date.issued | 1998-08-15 | - |
| dc.identifier | http://dx.doi.org/10.1063/1.476861 | - |
| dc.identifier.citation | Journal of Chemical Physics. Woodbury: Amer Inst Physics, v. 109, n. 7, p. 2624-2629, 1998. | - |
| dc.identifier.issn | 0021-9606 | - |
| dc.identifier.uri | http://hdl.handle.net/11449/8700 | - |
| dc.description.abstract | We present a new algorithm for Reverse Monte Carlo (RMC) simulations of liquids. During the simulations, we calculate energy, excess chemical potentials, bond-angle distributions and three-body correlations. This allows us to test the quality and physical meaning of RMC-generated results and its limitations. It also indicates the possibility to explore orientational correlations from simple scattering experiments. The new technique has been applied to bulk hard-sphere and Lennard-Jones systems and compared to standard Metropolis Monte Carlo results. (C) 1998 American Institute of Physics. | en |
| dc.format.extent | 2624-2629 | - |
| dc.language.iso | eng | - |
| dc.publisher | American Institute of Physics (AIP) | - |
| dc.source | Web of Science | - |
| dc.title | A new algorithm for Reverse Monte Carlo simulations | en |
| dc.type | outro | - |
| dc.contributor.institution | Univ Lund | - |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
| dc.description.affiliation | Univ Lund, Ctr Chem, S-22100 Lund, Sweden | - |
| dc.description.affiliation | UNESP, Fac Ciências, Dept Quim, BR-17033360 Bauru, SP, Brazil | - |
| dc.description.affiliationUnesp | UNESP, Fac Ciências, Dept Quim, BR-17033360 Bauru, SP, Brazil | - |
| dc.identifier.doi | 10.1063/1.476861 | - |
| dc.identifier.wos | WOS:000075271100007 | - |
| dc.rights.accessRights | Acesso restrito | - |
| dc.identifier.file | WOS000075271100007.pdf | - |
| dc.relation.ispartof | Journal of Chemical Physics | - |
| Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp | |
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