Purely theoretical electron-impact ionization cross-sections of silicon hydrides and silicon fluorides obtained from explicitly correlated methods Academic Article

abstract

• The electron impact ionization cross-sections calculated using a combination of the binary-encounter-dipole (BED) model and ionization potential (IP) data from the multiconfigurational spin tensor electron propagator (MCSTEP) method and kinetic energies from the natural orbitals of the (correlated) complete space self-consistent field (CASSCF) wave function were analyzed. Results indicate that improvement of the theoretical data upon which BEB cross-sections are based has minimal effect.

authors

• Yeager, Danny

published proceedings

• JOURNAL OF CHEMICAL PHYSICS

author list (cited authors)

• Malcolm, N., & Yeager, D. L.

citation count

• 11

complete list of authors

• Malcolm, NOJ||Yeager, DL

publication date

• January 2000

publisher

• AIP Publishing  Publisher

published in

• Journal of Chemical Physics  Journal

keywords

• 13 Climate Action

Digital Object Identifier (DOI)

• 10.1063/1.481768

start page

• 8

end page

• 17

volume

• 113

issue

• 1

URL

• http%3A%2F%2Fdx.doi.org%2F10.1063%2F1.481768

user-defined tag

• 13 Climate Action