Inversion of rotationally inelastic differential cross sections under sudden conditions

Journal Article · Mon Dec 15 04:00:00 EST 1980 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.440157· OSTI ID:7093682

Schinke, R

An inversion method for rotationally inelastic atom--diatom differential cross sections based on the infinite-order-sudden (IOS) approximation is presented. It consists of two separate steps: (1) The scattering phase shift, which is a function of the partial wave parameter l and the orientation angle ..gamma.., is determined by least-squares fitting of the reference cross sections. (2) For fixed orientation ..gamma.. the R dependence of the interaction potential in obtained from the l dependence of the phase shift using the Firsov technique. This method is applicable in the so-called strong coupling case when rotational rainbow features are dominant and yields information about the anisotropy of the potential surface in the repulsive region. Because of the centrifugal sudden condition, scattering systems with deep potential wells cannot be treated by the present method. Test calculations are performed using theoretical IOS cross sections obtained from a realistic He--Na/sub 2/ surface as reference data.

• Research Organization: Max-Planck-Institut fuer Stroemungsforschung, 3400 Goettingen, West Germany
• OSTI ID: 7093682
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 73:12; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ALKALI METALS
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
CROSS SECTIONS
DATA
DIFFERENTIAL CROSS SECTIONS
DIMERS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
FLUIDS
GASES
HELIUM
INFORMATION
METALS
MOLECULE COLLISIONS
NONMETALS
NUMERICAL DATA
PHASE SHIFT
RARE GASES
ROTATIONAL STATES
SODIUM
SUDDEN APPROXIMATION
THEORETICAL DATA