Experimental and theoretical study on generalized oscillator strengths of the valence-shell electronic excitations in CF4

2011 ◽  
Vol 134 (6) ◽  
pp. 064307 ◽  
Author(s):  
Noboru Watanabe ◽  
Daisuke Suzuki ◽  
Masahiko Takahashi
Keyword(s):  
Theoretical Study ◽  
Oscillator Strengths ◽  
Valence Shell ◽  
Electronic Excitations ◽  
Generalized Oscillator

Theoretical study of generalized oscillator strengths for the low-lying electronic excitations of CH3Cl and CF3Cl

2022 ◽  
Author(s):  
Noboru Watanabe ◽  
Masahiko Takahashi
Keyword(s):  
Theoretical Study ◽  
Oscillator Strengths ◽  
Molecular Vibration ◽  
Electronic Excitations ◽  
Excited Singlet ◽  
Singlet States ◽  
Excited Singlet States ◽  
Generalized Oscillator ◽  
Theoretical Results ◽  
Mixed Nature

Abstract We report a theoretical study of electronic excitation in CH3Cl and CF3Cl by electron impact. Momentum-transfer-dependent generalized oscillator strengths (GOSs) are calculated for transitions to low-lying excited singlet-states at the equation-of-motion coupled-cluster singles and doubles level. The influence of molecular vibration is taken into account in the calculation. The theoretical results show reasonable overall agreement with experimental data reported in the literature. The shapes of the GOS profiles reveal that the 1 1E state of CH3Cl has a valence-Rydberg mixed nature, while that of CF3Cl is of a predominant C-Cl antibonding character. A comparison with the experimental GOSs of CH3Cl provides unambiguous evidence that the 3pe state is lower in energy than the 3pa1 state. Optical oscillator strengths are also calculated and comparison is made with available experimental and other theoretical results.

The generalized oscillator strengths for the valence shell excitations in helium by fast electron impact

2004 ◽  
Vol 135 (1) ◽  
pp. 15-20 ◽  
Author(s):  
Xiao-Jing Liu ◽  
Lin-Fan Zhu ◽  
Zhen-Sheng Yuan ◽  
Wen-Bin Li ◽  
Hua-Dong Cheng ◽  
...  
Keyword(s):  
Electron Impact ◽  
Fast Electron ◽  
Oscillator Strengths ◽  
Valence Shell ◽  
Generalized Oscillator

Generalized oscillator strengths for the valence-shell excitations of argon

2006 ◽  
Vol 73 (4) ◽  
Author(s):  
Lin-Fan Zhu ◽  
Hua-Dong Cheng ◽  
Zhen-Sheng Yuan ◽  
Xiao-Jing Liu ◽  
Jian-Min Sun ◽  
...  
Keyword(s):  
Oscillator Strengths ◽  
Valence Shell ◽  
Generalized Oscillator

Experimental and theoretical study of generalized oscillator strengths for C1sand O1sexcitations inCO2

2000 ◽  
Vol 61 (4) ◽  
Author(s):  
I. G. Eustatiu ◽  
T. Tyliszczak ◽  
A. P. Hitchcock ◽  
C. C. Turci ◽  
A. B. Rocha ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Oscillator Strengths ◽  
Generalized Oscillator

Generalized oscillator strengths for some higher valence-shell excitations of argon

2007 ◽  
Vol 75 (3) ◽  
Author(s):  
Lin-Fan Zhu ◽  
Hui Yuan ◽  
Wei-Chun Jiang ◽  
Fang-Xin Zhang ◽  
Zhen-Sheng Yuan ◽  
...  
Keyword(s):  
Oscillator Strengths ◽  
Valence Shell ◽  
Generalized Oscillator

Experimental and theoretical study of S 2p and C 1s generalized oscillator strengths in CS2

2007 ◽  
Vol 155 (1-3) ◽  
pp. 21-27 ◽  
Author(s):  
C.C. Turci ◽  
A.B. Rocha ◽  
M. Barbatti ◽  
C.E. Bielschowsky ◽  
I.G. Eustatiu ◽  
...  
Keyword(s):  
Theoretical Study ◽  
Oscillator Strengths ◽  
Generalized Oscillator
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