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Three‐dimensional quantum mechanical studies of the H + H 2 and F + H 2 reactions
Author(s) -
Redmon Michael J.,
Wyatt Robert E.
Publication year - 2009
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.560090850
Subject(s) - decoupling (probability) , excitation , quantum , scattering , physics , atomic physics , population inversion , probability distribution , quantum mechanics , mathematics , statistics , laser , control engineering , engineering
New results are presented for quantum mechanical reactive scattering in H + H 2 , including a comparison of close‐coupling cross sections for para to ortho conversion with results obtained through momentum decoupling approximations. Information‐theoretic analysis of product rotational distributions is given for one total energy. Results are also presented of the first three‐dimensional coupled‐channel study of the F + H 2 reaction, showing the energy dependence of the probability distribution for vibrational excitation and population inversion.