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dc.creatorBethardy, G. A.en_US
dc.descriptionAuthor Institution: Argonne National Laboratory, Argonne, Illinois 60439.en_US
dc.description.abstractThe spectrum of the asymmetric methyl stretching vibration of ethanol exhibits extensive local perturbations characteristic of vibrational state mixing induced by both anharmonic and Coriolis terms in the Hamiltonian. An initially prepared rotational state, $J_{K}$, of this (bright) zero-order vibration would temporally evolve such that at later times the wave packet would contain contributions from zero-order bath states with different values of the K. A random matrix methodology has recently been used by Perry et al. to model the statistical properties of the spectrum and to give insight into the average strength of both bright-bath and bath-bath couplings, The model treats the vibrational part of the matrix elements stochastically and the rotational part deterministically using the known rotational quantum number dependence of the Coriolis interaction. Here this model is used to study the flow of energy in K-space by projecting the temporally evolving wave packet onto the zero-order K states of the bath as a function of time. Preliminary results indicate that although an initially prepared bright state decays in about 50 ps, it takes many times longer for the energy to completely percolate through K-space; and even in the long time limit the K quantum number appears to be partially conserved.en_US
dc.format.extent63354 bytes
dc.publisherOhio State Universityen_US
dc.titleOn the Flow of Energy in K-space Driven by Coriolis Induced Intramolecular Vibrational Energy Redistribution (IVR)en_US

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