Electronic State Spectroscopy of 1,4-Pentadiene As Studied by VUV Photoabsorption Spectroscopy and ab Initio Calculations

2012 ◽  
Vol 116 (31) ◽  
pp. 8176-8184 ◽  
Author(s):  
S. Sério ◽  
Y. Nunes ◽  
S. V. Hoffmann ◽  
N. J. Mason ◽  
D. Duflot ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic State

Electronic State Spectroscopy of c-C5F8Explored by Photoabsorption, Electron Impact, Photoelectron Spectroscopies and Ab Initio Calculations

2008 ◽  
Vol 112 (13) ◽  
pp. 2782-2793 ◽  
Author(s):  
P. Limão-Vieira ◽  
D. Duflot ◽  
A. Giuliani ◽  
E. Vasekova ◽  
J. M. C. Lourenço ◽  
...  
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electron Impact ◽  
Electronic State

Electronic Structure of AC-Clusters and High-Resolution Xray Spectra of Actinides in Solids

2006 ◽  
Vol 986 ◽  
Author(s):  
Nicolay Alex Kulagin
Keyword(s):  
Electronic Structure ◽  
High Resolution ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Electronic State ◽  
Rare Earths ◽  
X Ray ◽  
Unstable Nuclei ◽  
Analysis Of Results ◽  
Theoretical Results

AbstractAb initio calculations using SCF approach for and analysis of results of investigation of the electronic structure of the clusters RA+n:[L]k with rare earths or actinides were carried out for the clusters in solids and liquids. Theoretical results for the electronic structure, radial integrals and energy of X- ray lines are presented for AC ions with unoccupied 5f-shell in the clusters in oxides, chlorides and fluorides environment. Possibility of collaps of nf-shell for the separate clusters and identification of electronic state of ions with unstable nuclei, are discussed, too.

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