MR-SDCI STUDY ON HIGH-ENERGY ELECTRON AND X-RAY-SCATTERING CROSS-SECTIONS OF LINEAR-MOLECULES

Authors
MEYER H MULLER T SCHWEIG A
Citation
H. Meyer et al., MR-SDCI STUDY ON HIGH-ENERGY ELECTRON AND X-RAY-SCATTERING CROSS-SECTIONS OF LINEAR-MOLECULES, Molecular physics, 88(6), 1996, pp. 1563-1573
Citations number
48
Categorie Soggetti
Physics, Atomic, Molecular & Chemical
Journal title
Molecular physics → ACNP
ISSN journal
00268976
Volume
88
Issue
6
Year of publication
1996
Pages
1563 - 1573
Database
ISI
SICI code
0026-8976(1996)88:6<1563:MSOHEA>2.0.ZU;2-C
Abstract
High-energy electron and X-ray scattering cross-sections of O-2, F-2, CO and CO2 have been calculated within the framework of the first Born approximation from MR-SDCI wavefunctions recovering up to 92% of the estimated correlation energy. In contrast to the fair agreement found for X-ray scattering cross-sections, comparison with available experim ental data shows large deviations in the case of electron scattering. Possible causes for the observed discrepancies are discussed.