Please use this identifier to cite or link to this item:
http://hdl.handle.net/1942/1450
Title: | Probing Dyson orbitals with Green’s Function theory and Electron Momentum Spectroscopy | Authors: | Ning, C.G. Ren, X.G. Deng, J.K. Su, G.L. Zhang, S.F. KNIPPENBERG, Stefan DELEUZE, Michael |
Issue Date: | 2006 | Publisher: | Elsevier | Source: | CHEMICAL PHYSICS LETTERS, 421(1-3). p. 52-57 | Abstract: | Results of an experimental study of the valence electronic structure of difluoromethane employing high-resolution Electron Momentum Spectroscopy with various impact energies are reported. One-particle Green’s Function theory is utilized, for the first time, for computing accurate spherically averaged electron momentum distributions. These are derived from Dyson orbitals obtained using the third-order Algebraic Diagrammatic Construction (ADC(3)) scheme. The corresponding eigen-energies also accurately reproduce the (e, 2e) ionization spectrum. Shortcomings of empirical analyses of (e, 2e) experiments based on Kohn–Sham orbitals and eigen-energies are comparatively discussed. A failure of the target Hartree-Fock approximation is noted for the momentum distribution pertaining to the 1b1 + 3b2 + 5a1 levels. | Document URI: | http://hdl.handle.net/1942/1450 | ISSN: | 0009-2614 | e-ISSN: | 1873-4448 | DOI: | 10.1016/j.cplett.2006.01.040 | ISI #: | 000236662600011 | Category: | A1 | Type: | Journal Contribution | Validations: | ecoom 2007 |
Appears in Collections: | Research publications |
Show full item record
SCOPUSTM
Citations
40
checked on Sep 3, 2020
WEB OF SCIENCETM
Citations
44
checked on Oct 14, 2024
Page view(s)
80
checked on Jul 9, 2023
Google ScholarTM
Check
Altmetric
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.