Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids.
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F67985858%3A_____%2F01%3A27020042" target="_blank" >RIV/67985858:_____/01:27020042 - isvavai.cz</a>
Result on the web
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DOI - Digital Object Identifier
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Alternative languages
Result language
angličtina
Original language name
Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids.
Original language description
A new method is presented for the Monte Carlo simulations of polarizable models with induced dipole moments. This method updates induced dipole moments on all molecules when a single molecule is moved, without evaluating all pair interactions. Thus, depending on the number of molecules, it is 10ů20 times faster than Monte Carlo simulations with full iteration. The eü ciency makes it a powerful tool for the study of phase equilibria of polarizable models in grand canonical and Gibbs ensembles.
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)
Others
Publication year
2001
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Molecular Physics
ISSN
0026-8976
e-ISSN
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Volume of the periodical
99
Issue of the periodical within the volume
4
Country of publishing house
GB - UNITED KINGDOM
Number of pages
6
Pages from-to
349-354
UT code for WoS article
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EID of the result in the Scopus database
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