Time Dependent Wave Packet Study of the H-+ H2 Nonreactive Scattering
Sinan Akpinar, Seda Surucu
DOI: 10.4236/jqis.2011.12013   PDF   HTML     3,125 Downloads   7,205 Views   Citations


Time dependent wave packet calculations have been performed for the H-+ H2nonreactive scattering, summed of elastic and inelastic probabilities, on the recent reported potential energy surface of the systems. The total probabilities for total angular momentum J up to 35 have been calculated to get the converged integral cross sections over collision energy range of 0.20 - 1.42 eV. Integral cross-sections and rate constants have been calculated from the wave packet transition probabilities for the initial states (υ = 0, j = 0) by means of J-shifting method and uniform J-shifting method for J > 0.

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S. Akpinar and S. Surucu, "Time Dependent Wave Packet Study of the H-+ H2 Nonreactive Scattering," Journal of Quantum Information Science, Vol. 1 No. 2, 2011, pp. 96-103. doi: 10.4236/jqis.2011.12013.

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The authors declare no conflicts of interest.


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