Exploring the dynamics of dimer crossing over a Kramers type potential
نویسندگان
چکیده
منابع مشابه
Exploring the dynamics of dimer crossing over a Kramers type potential.
We explore the escape rate of a dimer crossing a potential barrier using both analytical and numerical approaches. We find that for small coupling strength k, the barrier hopping can be well approximated by a two step reaction scheme where one monomer hops over the barrier and is then followed by the other. In this regime the escape rate increases with k showing that the cooperativity between m...
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چکیده ندارد.
Approach to quantum Kramers' equation and barrier crossing dynamics.
We have presented a simple approach to quantum theory of Brownian motion and barrier crossing dynamics. Based on an initial coherent state representation of bath oscillators and an equilibrium canonical distribution of quantum-mechanical mean values of their co-ordinates and momenta we have derived a c number generalized quantum Langevin equation. The approach allows us to implement the method ...
متن کاملQuantum Kramers equation for energy diffusion and barrier crossing dynamics in the low-friction regime.
Based on a true phase space probability distribution function and an ensemble averaging procedure we have recently developed [Phys. Rev. E 65, 021109 (2002)] a non-Markovian quantum Kramers equation to derive the quantum rate coefficient for barrier crossing due to thermal activation and tunneling in the intermediate to strong friction regime. We complement and extend this approach to weak fric...
متن کاملKramers problem for a multiwell potential
Fluctuational escape from a multiwell potential is shown to display new features, as compared to the conventional single-well case. The flux J may depend on friction gamma exponentially strongly, over an exponentially long period; for small enough temperatures, J(gamma) undergoes marked oscillations in the range of small gamma, and the time evolution of J changes drastically as gamma exceeds a ...
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ژورنال
عنوان ژورنال: The Journal of Chemical Physics
سال: 2012
ISSN: 0021-9606,1089-7690
DOI: 10.1063/1.3675920