Simulated annealing‐based optimal control over tunneling process through SDWP and E ckart barrier: A momentum basis representation
Srijeeta Talukder, Pinaki Chaudhury, Subhasree Ghosh
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 . In the momentum basis representation, τ can be directly calculated by integrating from the limit km to infinity, where is the wave function in the momentum space. Instead of the continuous basis, if we chose momentum grid space, τ can be expressed as . 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.
International Journal of Quantum Chemistry•Apr 25, 2017•6 citations