Origin of the dynamical differences between the Tang and Dalgarno--Henry--Roberts potentials for rigid rotor H/sub 2/-H collisions

Journal Article · Thu Sep 15 04:00:00 EDT 1983 · J. Chem. Phys.; (United States)

OSTI ID:5720957

Margolies, S; Garetz, B A; Sathyamurthy, N

We compare our quasiclassical trajectory results for the J = 0 ..-->.. 2 rotational excitation in rigid rotor H/sub 2/-H collisions with the close-coupling results of Choi and Tang on two different potentials. We trace the dynamical differences between the two potentials to the differences in the ellipticity of the repulsive potential-energy contours. We also discuss the application of our results to rotational excitation on the most accurate Siegbahn--Liu--Truhlar--Horowitz surface for the collision.

• Research Organization: Department of Chemistry, Polytechnic Institute of New York, Brooklyn, New York 11201
• OSTI ID: 5720957
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 79:6; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY TRANSFER
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
POTENTIALS
ROTATIONAL STATES