A theoretical procedure to treat elastic electron-molecule collision usingthe configuration-interaction method

Citation
Jdm. Vianna et al., A theoretical procedure to treat elastic electron-molecule collision usingthe configuration-interaction method, J PHYS B, 34(18), 2001, pp. L617-L624
Citations number
26
Categorie Soggetti
Physics
Journal title
JOURNAL OF PHYSICS B-ATOMIC MOLECULAR AND OPTICAL PHYSICS
ISSN journal
09534075 → ACNP
Volume
34
Issue
18
Year of publication
2001
Pages
L617 - L624
Database
ISI
SICI code
0953-4075(20010928)34:18<L617:ATPTTE>2.0.ZU;2-A
Abstract
A procedure to use a configuration-interaction (CI) wavefunction of the tar get to determine the potential interaction in the electron-molecule collisi on theory is proposed. Static, exchange and polarization contributions are obtained explicitly. As a first application the method is used to study ela stic scattering by two molecules with different symmetries, H-2 and CH4. Di fferential cross sections (DCS) using Hartree-Fock (BF) and CI wavefunction s are presented and the effect of electron correlation analysed. The DCS we re obtained using the Schwinger variational iterative method and the method of continued fractions. It is observed that the discrepancies between HF a nd CI results are more significant for low energies and small angles. Altho ugh our procedure is valid for arbitrary energies, it could be most useful for electron-molecule collision in the low energy range.