Theoretical Study of the Negative Ion Photoelectron Spectrum of Cyclooctatetraene via Computation of Franck–Condon Factors

2020 ◽  
Vol 124 (16) ◽  
pp. 3205-3213
Author(s):  
Jia-Lin Chang ◽  
Ming-Zhi Cheng ◽  
Yun-Jhu Huang
1979 ◽  
Vol 57 (8) ◽  
pp. 1178-1184 ◽  
Author(s):  
M. L. Sink ◽  
A. D. Bandrauk

Ab initio Cl calculations of the transition moment for the B′2Σ+–X2Σ+ transition in MgH are reported. Theoretical values for the Franck–Condon factors, band strengths, band oscillator strengths, and transition probabilities have been computed for MgH and MgD. An analysis of our results for this system predicts many bands to be observable which have not yet been identified. Dipole moment functions and vibrationally averaged dipole moments are given for the X2Σ+, A2Π, and B′2Σ+ electronic states.


2005 ◽  
Vol 122 (18) ◽  
pp. 184104 ◽  
Author(s):  
Josep M. Luis ◽  
Miquel Torrent-Sucarrat ◽  
Miquel Solà ◽  
David M. Bishop ◽  
Bernard Kirtman

1976 ◽  
Vol 9 (11) ◽  
pp. 755-764 ◽  
Author(s):  
T. Koenig ◽  
T. Balle ◽  
J. C. Chang

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