Molecular photoionization using the complex Kohn variational method

Journal Article · Wed Apr 01 04:00:00 EST 1992 · Physical Review A. General Physics; (United States)

DOI:https://doi.org/10.1103/PhysRevA.45.4494· OSTI ID:7034946

Lynch, D L ^[1]; Schneider, B I ^[2]

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1. Department of Chemistry, Brown University, Providence, Rhode Island 02912 (United States)
2. Theory Division, Los Alamos National Laboratory, Los Alamos, New Mexico 87545 (United States)

We have applied the complex Kohn variational method to the study of molecular-photoionization processes. This requires electron-ion scattering calculations enforcing incoming boundary conditions. The sensitivity of these results to the choice of the cutoff function in the Kohn method has been studied and we have demonstrated that a simple matching of the irregular function to a linear combination of regular functions produces accurate scattering phase shifts.

• DOE Contract Number: W-7405-ENG-36
• OSTI ID: 7034946
• Journal Information: Physical Review A. General Physics; (United States), Journal Name: Physical Review A. General Physics; (United States) Vol. 45:7; ISSN 1050-2947; ISSN PLRAA
• Country of Publication: United States
• Language: English

Related Subjects

664200* -- Spectra of Atoms & Molecules & their Interactions with Photons-- (1992-)
74 ATOMIC AND MOLECULAR PHYSICS
BOUNDARY CONDITIONS
COLLISIONS
CROSS SECTIONS
ELECTRON COLLISIONS
ELECTRON-ION COLLISIONS
ELEMENTS
FUNCTIONS
HYDROGEN
ION COLLISIONS
IONIZATION
MOLECULES
NITROGEN
NONMETALS
PHASE SHIFT
PHOTOIONIZATION
VARIATIONAL METHODS