Energy-adjusted sudden approximation for inelastic scattering

Journal Article · Fri Jan 15 04:00:00 EST 1982 · J. Chem. Phys.; (United States)

DOI:https://doi.org/10.1063/1.443073· OSTI ID:6018171

Cross, R J

A simple procedure is developed to correct the infinite-order sudden (IOS) approximation for the finite energy separation between states. A phase-shift matrix is computed using the IOS and multiplied by an energy correction factor B/sub i/j and then exponentiated to give the S matrix. The correction factor is obtained by calculating an approximate phase-shift matrix for a finite energy separation and dividing this by the approximate form with no energy separation. A simple procedure is given for choosing the energy at which the IOS phase shifts are calculated. Results for He+H/sub 2/ and Ar+N/sub 2/ show good agreement with accurate calculations and a substantial improvement over the IOS.

• Research Organization: Department of Chemistry, Yale University, New Haven, Connecticut 06520
• OSTI ID: 6018171
• Journal Information: J. Chem. Phys.; (United States), Journal Name: J. Chem. Phys.; (United States) Vol. 76:2; ISSN JCPSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ARGON
ATOM COLLISIONS
ATOM-MOLECULE COLLISIONS
COLLISIONS
ELEMENTS
ENERGY-LEVEL TRANSITIONS
FLUIDS
GASES
HELIUM
HYDROGEN
MATRICES
MOLECULE COLLISIONS
NITROGEN
NONMETALS
PHASE SHIFT
RARE GASES
S MATRIX
SUDDEN APPROXIMATION