Accurate H/sub 3/ dynamics on an accurate H/sub 3/ potential surface
Journal Article
·
· J. Chem. Phys.; (United States)
OSTI ID:6950338
Converged quantum close coupling calculations for the hydrogen exchange reaction on the chemically accurate potential surface of Siegbahn and Liu, using the fit of Truhlar and Horowitz, are reported. Comparisons are made with the Porter--Karplus potential energy surface.
- Research Organization:
- Theoretical Division, Los Alamos Scientific Laboratory, Los Alamos, New Mexico 87545
- OSTI ID:
- 6950338
- Journal Information:
- J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 69:6; ISSN JCPSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
400200 -- Inorganic
Organic
& Physical Chemistry
640300* -- Atomic
Molecular & Chemical Physics
74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
CHEMICAL REACTION KINETICS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY
FLUIDS
HYDROGEN
KINETICS
MECHANICS
NONMETALS
POTENTIAL ENERGY
QUANTUM MECHANICS
REACTION KINETICS
400200 -- Inorganic
Organic
& Physical Chemistry
640300* -- Atomic
Molecular & Chemical Physics
74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
CHEMICAL REACTION KINETICS
CRYOGENIC FLUIDS
ELEMENTS
ENERGY
FLUIDS
HYDROGEN
KINETICS
MECHANICS
NONMETALS
POTENTIAL ENERGY
QUANTUM MECHANICS
REACTION KINETICS