Journal
JOURNAL OF CHEMICAL PHYSICS
Volume 123, Issue 17, Pages -Publisher
AMER INST PHYSICS
DOI: 10.1063/1.2085167
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A full-dimensional quantum dynamical study of the rotational excitation in para-para H-2 + H-2 collisions using the potential-energy surface of Boothroyd [J. Chem. Phys. 116, 666 (2002)] is reported. The multiconfiguration time-dependent Hartree algorithm is utilized to propagate wave packets and the cross sections for collision energies up to 1.2 eV are determined by a flux analysis through the interaction of the wave packet with a complex absorbing potential. Calculations for a collection of total angular momenta up to J = 70 are performed; the missing channels are obtained with a J-interpolation algorithm. (c) 2005 American Institute of Physics.
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