Rotationally inelastic collisions of LiH with He: Quasiclassical dynamics of atom-rigid rotor trajectories

Journal Article · Wed Aug 15 00:00:00 EDT 1984 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.447894· OSTI ID:6651784

Metropoulos, A; Silver, D M

Rotationally inelastic cross sections for the LiH--He collision system are computed classically using a previously derived ab initio potential energy surface (D. M. Silver, J. Chem. Phys. 72, 6445 (1980)). The LiH is in its ground vibronic state and is initially taken to be in its j = 1 rotational state. The He is in its ground electronic state. The system is treated as an atom-rigid rotor interaction. The results are compared with previously computed cross sections derived from the same ab initio potential energy surface using the coupled states approximation for quantum mechanical scattering (E. F. Jendrek and M. H. Alexander, J. Chem. Phys. 72, 6452 (1980)). The theoretical total cross sections are averaged over a temperature distribution and are then compared with experimental measurements of corresponding cross sections for a rotationally resolved LiH beam ( j = 1) incident on a He gas target in thermal equilibrium at room temperature (P. J. Dagdigian and B. E. Wilcomb, J. Chem. Phys. 72, 6462 (1980)). The agreement between classical, quantum and experimental results is discussed.

• Research Organization: Theoretical Chemistry Institute, National Hellenic Research Foundation, Athens 501/1, Greece
• OSTI ID: 6651784
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 81:4; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METAL COMPOUNDS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
CROSS SECTIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITED STATES
FLUIDS
GASES
HELIUM
HYDRIDES
HYDROGEN COMPOUNDS
LITHIUM COMPOUNDS
LITHIUM HYDRIDES
MOLECULE COLLISIONS
NONMETALS
RARE GASES
ROTATIONAL STATES