首页|Over-barrier crossing in multidimensional tunneling
Over-barrier crossing in multidimensional tunneling
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NSTL
Elsevier
Studies of the dissociative chemisorption of N2 using two-dimensional empirical potential energy surfaces that differ by the position of the saddle point, all show high tunneling probabilities at energies well below the saddle point energy of the reaction. This is highly unusual for a heavy-atom system and contradicted by onedimensional analysis along the minimum-energy path. A mechanism of over-barrier crossing, related to the high-momentum tail of the vibrational wave function of N-2, is demonstrated. We analyze the two-dimensional wave-packet propagation and compares to the probability of having vibrational momenta that exceeds the value required to overcome the relevant barrier.
Quantum dynamicsMultidimensional tunnelingELASTIC BAND METHODDISSOCIATIVE CHEMISORPTIONN-2DYNAMICSMECHANISMRHENIUMN2
NSTL
Elsevier
