Sudden rotation reactive scattering: Theory and application to 3-D H+H/sub 2/
Journal Article
·
· J. Chem. Phys.; (United States)
An approximate quantum mechanical theory of reactive scattering is presented and applied to the H+H/sub 2/ reaction in three dimensions. Centrifugal sudden and rotational sudden approximations are made in each arrangement channel, however, vibrational states are treated in a fully coupled manner. Matching of arrangement channel wave functions is done where the arrangement channel centrifugal potentials are equal. This matching is particularly appropriate for collinearly favored reactions. Integral and differential cross sections are calculated for the H+H/sub 2/ reaction for H/sub 2/ in the ground and first excited vibrational states. These calculations employ the Porter--Karplus potential energy surface mainly to allow for comparisons with previous accurate and approximate quantal and quasiclassical calculations.
- Research Organization:
- Department of Chemistry, Illinois Institute of Technology, Chicago, Illinois 60616
- OSTI ID:
- 5411889
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 72:9; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
ROTATIONAL STATES
SUDDEN APPROXIMATION
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
CHEMICAL REACTIONS
COLLISIONS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY LEVELS
EXCITED STATES
FLUIDS
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
ROTATIONAL STATES
SUDDEN APPROXIMATION