Electron-impact ionization of diatomic molecules using a configuration-average distorted-wave method

Journal Article · Sun Jul 15 00:00:00 EDT 2007 · Physical Review. A

DOI:https://doi.org/10.1103/PHYSREVA.76.012714· OSTI ID:21011231

Pindzola, M S; Robicheaux, F; Colgan, J; Ballance, C P ^[1]

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1. Department of Physics, Auburn University, Auburn, Alabama 36849 (United States)

Electron-impact ionization cross sections for diatomic molecules are calculated in a configuration-average distorted-wave method. Core bound orbitals for the molecular ion are calculated using a single-configuration self-consistent-field method based on a linear combination of Slater-type orbitals. The core bound orbitals are then transformed onto a two-dimensional (r,{theta}) numerical lattice from which a Hartree potential with local exchange is constructed. The single-particle Schroedinger equation is then solved for the valence bound orbital and continuum distorted-wave orbitals with S-matrix boundary conditions. Total cross section results for H{sub 2} and N{sub 2} are compared with those from semiempirical calculations and experimental measurements.

• OSTI ID: 21011231
• Journal Information: Physical Review. A, Vol. 76, Issue 1; Other Information: DOI: 10.1103/PhysRevA.76.012714; (c) 2007 The American Physical Society; Country of input: International Atomic Energy Agency (IAEA); ISSN 1050-2947
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
BOUNDARY CONDITIONS
CONFIGURATION
CONFIGURATION INTERACTION
DIATOMS
DISTORTED WAVE THEORY
ELECTRON BEAMS
ELECTRON-MOLECULE COLLISIONS
HYDROGEN
IONIZATION
MOLECULAR IONS
MOLECULES
NITROGEN
PARTICLES
POTENTIALS
S MATRIX
SCHROEDINGER EQUATION
SELF-CONSISTENT FIELD
TOTAL CROSS SECTIONS
TWO-DIMENSIONAL CALCULATIONS
VALENCE