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Puddle jumping

We start with some background on existing methods that alter the initial distributions in the reactant basin, focusing in particular on the puddle jumping method of Tully and coworkers [69, 110], which is the inspiration for the skewed momenta method developed in the following section. We continue with a description of the skewed momenta method, as applied to (8.48), with numerical examples for each case. We end with a concluding discussion. [Pg.301]

Methods such as skewed momenta are expected to have an additional advantage in high-dimensional systems. Puddle jumping is efficient in such systems only if the puddle can be selectively applied across a few pertinent degrees of freedom. In contrast, the skewed momenta method can be applied without modification to trajectories involving concerted changes to many degrees of freedom. [Pg.303]

Rahman, J.A. Tully, J.C., Puddle-jumping A flexible sampling algorithm for rare event systems, Chem. Phys. 2002, 285, 277-287... [Pg.318]

I jumped down from the bench, picked up Smokey Bear from the puddle he was lying in, and sat him in the sun to dry. This was interesting. I ll show you. ... [Pg.55]


See other pages where Puddle jumping is mentioned: [Pg.293]    [Pg.301]    [Pg.303]    [Pg.293]    [Pg.301]    [Pg.303]    [Pg.363]    [Pg.34]    [Pg.85]    [Pg.490]   
See also in sourсe #XX -- [ Pg.301 ]




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