Ionization potentials and electron momentum distributions for SiF4 valence-shell orbitals: an (e,2e) spectroscopic investigation and Green's function study

Autor:	M. Rosi, R. Tiribelli, Roberta Fantoni, R. Cambi, A. Giardini-Guidoni
Rok vydání:	1986
Předmět:	Chemistry Linear combination of atomic orbitals Computational chemistry General Physics and Astronomy Cubic harmonic Molecular orbital theory Molecular orbital Complete active space Physical and Theoretical Chemistry Atomic physics Basis set Slater-type orbital Natural bond orbital
Zdroj:	Chemical Physics Letters. 128:67-75
ISSN:	0009-2614
DOI:	10.1016/0009-2614(86)80147-6
Popis:	Ionization potentials and electron momentum distributions of SiF 4 valence-shell orbitals have been measured by means of (e,2e) spectroscopy. SCF calculations and a Green's function study have been performed on the same molecule. A comparison between experimental and theoretical results shows that a significant interaction of 2p F with 3d Si orbitals occurs.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2787353a8734225cfc8fb6b179b7cc03 https://doi.org/10.1016/0009-2614(86)80147-6 Zobrazit plný text záznamu