TITLE:
Time Dependent Wave Packet Study of the H-+ H2 Nonreactive Scattering
AUTHORS:
Sinan Akpinar, Seda Surucu
KEYWORDS:
Reaction Dynamics, Non-Reactive Scattering
JOURNAL NAME:
Journal of Quantum Information Science,
Vol.1 No.2,
September
30,
2011
ABSTRACT: 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.