Nuclear dynamics in resonant electron-molecule scattering beyond the local approximation: The 2. 3-eV shape resonance in N/sub 2/

Journal Article · Thu Sep 01 04:00:00 EDT 1983 · Phys. Rev. A; (United States)

DOI:https://doi.org/10.1103/PhysRevA.28.1363· OSTI ID:5597570

Berman, M; Estrada, H; Cederbaum, L S; Domcke, W

Resonant electron scattering from the N/sub 2/ molecule is treated within the framework of Feshbach's projection-operator formalism. The problem of nuclear motion in the complex, nonlocal, and energy-dependent potential of the resonance state is solved with the use of basis-set expansion methods. The width function GAMMA(E,R) of the 2.3-eV shape resonance is taken from previous ab initio calculations (A. U. Hazi, T. N. Rescigno, and M. Kurilla, Phys. Rev. A 23, 1089 (1981)). The potential-energy curve V/sub 1/(R) of the discrete electronic state giving rise to the resonance is adjusted to obtain quantitative agreement with experiment for the v = 0..-->..1 vibrational excitation channel. Calculated cross sections are reported for many vibrational excitation channels including scattering from vibrationally excited target molecules and are compared with experiment. The results are in good agreement with experiment as far as experimental data are available. The information on the 2.3-eV shape resonance in N/sub 2/ obtained in this way (potential-energy curve, width function, complex pole of the S matrix, phase shift, etc.) is discussed and compared to the results of other ab initio and empirical calculations. Particular emphasis is laid on the assessment of the accuracy of the local complex potential approximation (boomerang model). It is shown that the local approximation is excellent for the 2.3-eV resonance in N/sub 2/ as far as the calculation of vibrationally inelastic cross sections is concerned.

• Research Organization: Theoretische Chemie, Institut fuer Physikalische Chemie, Universitat Heidelberg, D-6900 Heidelberg, Federal Republic of Germany
• OSTI ID: 5597570
• Journal Information: Phys. Rev. A; (United States), Journal Name: Phys. Rev. A; (United States) Vol. 28:3; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON-MOLECULE COLLISIONS
ELEMENTS
ENERGY LEVELS
ENERGY-LEVEL TRANSITIONS
EXCITATION
EXCITED STATES
INELASTIC SCATTERING
MOLECULE COLLISIONS
NITROGEN
NONMETALS
RESONANCE SCATTERING
SCATTERING
VIBRATIONAL STATES