Toluene Valence and Rydberg Excitations as Studied by ab initio Calculations and Vacuum Ultraviolet (VUV) Synchrotron Radiation

2015 ◽  
Vol 119 (34) ◽  
pp. 9059-9069 ◽  
Author(s):  
C. Serralheiro ◽  
D. Duflot ◽  
F. Ferreira da Silva ◽  
S. V. Hoffmann ◽  
N. C. Jones ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vacuum Ultraviolet

Valence and Rydberg Excitations of 2,4- and 2,6-Difluorotoluene as Studied by Vacuum Ultraviolet Synchrotron Radiation and ab Initio Calculations

2016 ◽  
Vol 120 (45) ◽  
pp. 8998-9007
Author(s):  
A. Souza Barbosa ◽  
F. Ferreira da Silva ◽  
A. Rebelo ◽  
S. V. Hoffmann ◽  
M. H. F. Bettega ◽  
...  
Keyword(s):  
Synchrotron Radiation ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vacuum Ultraviolet

The absorption spectrum of Ag I in the vacuum ultraviolet

1978 ◽  
Vol 361 (1706) ◽  
pp. 379-398 ◽  
Keyword(s):  
Absorption Spectrum ◽  
Synchrotron Radiation ◽  
Variational Method ◽  
Theoretical Prediction ◽  
Ab Initio ◽  
Absorption Spectra ◽  
Vacuum Ultraviolet ◽  
Rydberg Series ◽  
Hartree Fock ◽  
Doubly Excited

The absorption spectrum of Ag I between 550 Å and 1590 Å has been investigated by using synchrotron radiation as the source of continuum. Over 50 new transitions are reported, nearly all of which can be classified into Rydberg series due to excitation of one electron from the 4d subshell. Identifications are made by comparison with previous studies of the arc spectrum as well as with absorption spectra of related elements. Ab initio Hartree-Fock calculations have revealed the importance of treating 5s 5p 1 P based levels by a separate variational method. Doubly excited configurations are also found, but, in contrast to a previous theoretical prediction, double vacancy production within the 4d subshell is not found to be significant for Ag I.

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