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Title: Electron-impact Ionization Of Li2 And Li+2

Abstract

Electron-impact ionization cross sections for Li{sub 2} and Li{sup +}{sub 2} are calculated using a configuration-average distorted-wave method. Bound orbitals for the molecule and its ions are calculated using a single configuration self-consistent field method based on a linear combination of Slater-type orbitals. The bound orbitals are transformed onto a two-dimensional lattice ({tau}, {theta}), which is variable in the radial coordinate and constant in the angular coordinate, from which Hartree with local exchange potentials are constructed. The single particle Schrodinger equation is then solved for continuum distorted-waves with S-matrix boundary conditions. Total ionization cross sections for Li{sub 2} at an equilibrium internuclear separation of R = 5.0 and for Li{sup +}{sub 2} at an equilibrium internuclear separation of R = 5.9 are presented.

Authors:
 [1]
  1. Los Alamos National Laboratory
Publication Date:
Research Org.:
Los Alamos National Lab. (LANL), Los Alamos, NM (United States)
Sponsoring Org.:
USDOE
OSTI Identifier:
960592
Report Number(s):
LA-UR-08-05421; LA-UR-08-5421
Journal ID: ISSN 1050-2947; PLRAAN; TRN: US1002081
DOE Contract Number:
AC52-06NA25396
Resource Type:
Journal Article
Resource Relation:
Journal Name: Phys. Rev. A
Country of Publication:
United States
Language:
English
Subject:
74; BOUNDARY CONDITIONS; CONFIGURATION; COORDINATES; CROSS SECTIONS; SCHROEDINGER EQUATION; EQUILIBRIUM; IONIZATION; IONS; LITHIUM; MOLECULES; PARTICLES; POTENTIALS; S MATRIX; SELF-CONSISTENT FIELD

Citation Formats

Colgan, James P. Electron-impact Ionization Of Li2 And Li+2. United States: N. p., 2008. Web.
Colgan, James P. Electron-impact Ionization Of Li2 And Li+2. United States.
Colgan, James P. 2008. "Electron-impact Ionization Of Li2 And Li+2". United States. doi:. https://www.osti.gov/servlets/purl/960592.
@article{osti_960592,
title = {Electron-impact Ionization Of Li2 And Li+2},
author = {Colgan, James P},
abstractNote = {Electron-impact ionization cross sections for Li{sub 2} and Li{sup +}{sub 2} are calculated using a configuration-average distorted-wave method. Bound orbitals for the molecule and its ions are calculated using a single configuration self-consistent field method based on a linear combination of Slater-type orbitals. The bound orbitals are transformed onto a two-dimensional lattice ({tau}, {theta}), which is variable in the radial coordinate and constant in the angular coordinate, from which Hartree with local exchange potentials are constructed. The single particle Schrodinger equation is then solved for continuum distorted-waves with S-matrix boundary conditions. Total ionization cross sections for Li{sub 2} at an equilibrium internuclear separation of R = 5.0 and for Li{sup +}{sub 2} at an equilibrium internuclear separation of R = 5.9 are presented.},
doi = {},
journal = {Phys. Rev. A},
number = ,
volume = ,
place = {United States},
year = 2008,
month = 1
}