Improved accuracy in adiabatic cross sections for low-energy rotational and vibrational excitation of molecules by electron impact
Journal Article
·
· Physical Review, A; (USA)
- Department of Physics and Astronomy, University of Oklahoma, Norman, Oklahoma 73019-0225 (US)
We have developed a first-order adiabatic scattering theory for the calculation of low-energy rovibrational cross sections. This theory is more efficient computationally than a full coupled-state method because it transforms coupling of intermediate states into a parametric dependence on nuclear coordinates, and it is more accurate than the conventional adiabatic nuclei method because it correctly conserves energy in the entrance and exit channels. As formulated, this theory can easily be implemented using available computer programs that solve fixed-nuclei scattering equations. We derive this theory for rotational and vibrational excitation with both local and nonlocal potentials and assess it by application to {ital e}-H{sub 2} collisions.
- OSTI ID:
- 5730228
- Journal Information:
- Physical Review, A; (USA), Journal Name: Physical Review, A; (USA) Vol. 43:7; ISSN 1050-2947; ISSN PLRAA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
ADIABATIC APPROXIMATION
COLLISIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
ROTATIONAL STATES
VIBRATIONAL STATES
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
ACCURACY
ADIABATIC APPROXIMATION
COLLISIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
HYDROGEN
MOLECULE COLLISIONS
NONMETALS
ROTATIONAL STATES
VIBRATIONAL STATES