首页 | 本学科首页   官方微博 | 高级检索  
     检索      


Simulated annealing‐based optimal control over tunneling process through SDWP and Eckart barrier: A momentum basis representation
Authors:Srijeeta Talukder  Pinaki Chaudhury  Subhasree Ghosh
Institution:1. Department of Physical Chemistry, Indian Association for the Cultivation of Science, Jadavpur, India;2. Department of Chemistry, University of Calcutta, Kolkata, India;3. Department of Chemistry, Serampore College, Hooghly, India
Abstract:For a reaction to proceed via tunneling mechanism, it is essential that the reactants will cross the potential barrier (EP), where its initial energy (E0) is below the potential barrier EP. Tunneling probability τ is defined as the probability of having momentum higher than km, where urn:x-wiley:00207608:media:qua25388:qua25388-math-0001. In the momentum basis representation, τ can be directly calculated by integrating urn:x-wiley:00207608:media:qua25388:qua25388-math-0002 from the limit km to infinity, where urn:x-wiley:00207608:media:qua25388:qua25388-math-0003 is the wave function in the momentum space. Instead of the continuous basis, if we chose momentum grid space, τ can be expressed as urn:x-wiley:00207608:media:qua25388:qua25388-math-0004. Our target here is to increase this τ by applying a polychromatic field, so that the reaction rate can be enhanced. By applying Simulated Annealing technique we have designed some polychromatic electric fields, spatially symmetric and asymmetric type, which enhances the tunneling rate in symmetric double well system and Eckart barrier confined in an infinite well.
Keywords:Eckart barrier  momentum representation  SDWP  simulated annealing  tunneling probability
设为首页 | 免责声明 | 关于勤云 | 加入收藏

Copyright©北京勤云科技发展有限公司  京ICP备09084417号