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Reigh, Shang Yik,Kim, Hyo-Joon Korean Chemical Society 2012 Bulletin of the Korean Chemical Society Vol.33 No.3
The direct calculation method is generalized to the excited-state diffusion-influenced reversible reaction of a neutral and a charged particle under an external field with two different lifetimes and quenching in three dimensions. The present method provides an alternative way to calculate the binding probability density functions and the survival probabilities from the corresponding irreversible results. The solutions are obtained as the series solutions by the diagonal approximation due to the anisotropy of the unidirectional external field. The numerical results are found to be in good agreement with those of the previous study [S. Y. Reigh et al. J. Chem. Phys. 132, 164112 (2010)] within a weak field limit. The solutions of two approaches show qualitatively the same overall behavior including the power laws at long times.
Shang Yik Reigh,김효준 대한화학회 2012 Bulletin of the Korean Chemical Society Vol.33 No.3
The direct calculation method is generalized to the excited-state diffusion-influenced reversible reaction of a neutral and a charged particle under an external field with two different lifetimes and quenching in three dimensions. The present method provides an alternative way to calculate the binding probability density functions and the survival probabilities from the corresponding irreversible results. The solutions are obtained as the series solutions by the diagonal approximation due to the anisotropy of the unidirectional external field. The numerical results are found to be in good agreement with those of the previous study [S. Y. Reigh et al. J. Chem. Phys. 132, 164112 (2010)] within a weak field limit. The solutions of two approaches show qualitatively the same overall behavior including the power laws at long times.
Monte-Carlo Method for Simulations of Ring Polymers in the Melt
Vettorel, Thomas,Reigh, Shang Yik,Yoon, Do Y.,Kremer, Kurt WILEY-VCH Verlag 2009 Macromolecular Rapid Communications Vol. No.
<P>A detailed analysis of the efficiency of a Monte-Carlo (MC) method employing non-local moves for simple lattice ring polymers is presented. While the introduction of kink-translocation moves for linear chains results in the expected speedup by a factor of the order of the number of sites, this is significantly reduced for a melt of rings.</P><P> <img src='wiley_img/10221336-2009-30-4-5-MARC200800627-gra001.gif' alt='wiley_img/10221336-2009-30-4-5-MARC200800627-gra001'> </P>