Literature DB >> 14995655

Transition events in one dimension.

Ramon Crehuet1, Martin J Field, Eric Pellegrini.   

Abstract

The instanton or stationary-phase formula has received much attention recently as a way of determining transition paths in reacting systems. In this paper, we analyze the instanton approach for some one-dimensional problems and compare the results it gives with data from a numerical simulation. We show that a proper comparison of the analytic and numerical results must take into account the boundary conditions used in the numerical simulations and also suggest values for the integration constant in the instanton formula that gives the best agreement with the simulated results.

Year:  2004        PMID: 14995655     DOI: 10.1103/PhysRevE.69.012101

Source DB:  PubMed          Journal:  Phys Rev E Stat Nonlin Soft Matter Phys        ISSN: 1539-3755


  2 in total

1.  A dynamic view of enzyme catalysis.

Authors:  Aurora Jiménez; Pere Clapés; Ramon Crehuet
Journal:  J Mol Model       Date:  2008-03-06       Impact factor: 1.810

2.  The "weighted ensemble" path sampling method is statistically exact for a broad class of stochastic processes and binning procedures.

Authors:  Bin W Zhang; David Jasnow; Daniel M Zuckerman
Journal:  J Chem Phys       Date:  2010-02-07       Impact factor: 3.488

  2 in total

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