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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.
  • 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. (en)
Title
  • Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids.
  • Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids. (en)
skos:prefLabel
  • Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids.
  • Pair Approximation for Polarization Interaction: Efficient Method for Monte Carlo Simulations of Polarizable Fluids. (en)
skos:notation
  • RIV/67985858:_____/01:27020042!RIV/2003/AV0/A27003/N
http://linked.open.../vavai/riv/strany
  • 349;354
http://linked.open...avai/riv/aktivita
http://linked.open...avai/riv/aktivity
  • Z(AV0Z4072921)
http://linked.open...iv/cisloPeriodika
  • 4
http://linked.open...vai/riv/dodaniDat
http://linked.open...aciTvurceVysledku
http://linked.open.../riv/druhVysledku
http://linked.open...iv/duvernostUdaju
http://linked.open...titaPredkladatele
http://linked.open...dnocenehoVysledku
  • 690635
http://linked.open...ai/riv/idVysledku
  • RIV/67985858:_____/01:27020042
http://linked.open...riv/jazykVysledku
http://linked.open.../riv/klicovaSlova
  • polarization interaction; approximation (en)
http://linked.open.../riv/klicoveSlovo
http://linked.open...odStatuVydavatele
  • GB - Spojené království Velké Británie a Severního Irska
http://linked.open...ontrolniKodProRIV
  • [79D87F4576FE]
http://linked.open...i/riv/nazevZdroje
  • Molecular Physics
http://linked.open...in/vavai/riv/obor
http://linked.open...ichTvurcuVysledku
http://linked.open...cetTvurcuVysledku
http://linked.open...ocetUcastnikuAkce
http://linked.open...nichUcastnikuAkce
http://linked.open...UplatneniVysledku
http://linked.open...v/svazekPeriodika
  • 99
http://linked.open...iv/tvurceVysledku
  • Předota, Milan
  • Cummings, P. T.
  • Chialvo, A. A.
http://linked.open...n/vavai/riv/zamer
issn
  • 0026-8976
number of pages
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