scholarly journals A Quasi-Diabatic Representation of the 1,21A States of Methylamine

2019 ◽  
Vol 123 (25) ◽  
pp. 5231-5241 ◽  
Author(s):  
Yuchen Wang ◽  
Changjian Xie ◽  
Hua Guo ◽  
David R. Yarkony
Keyword(s):  
Diabatic Representation

A local diabatic representation of non-Born–Oppenheimer dynamics

2002 ◽  
Vol 352 (1-2) ◽  
pp. 99-105 ◽  
Author(s):  
Marc Joyeux ◽  
Dominique Sugny ◽  
Maurice Lombardi
Keyword(s):  
Diabatic Representation

The 7390 Å band of NO2, a vibronically-induced transition within the ground state manifold

1977 ◽  
Vol 55 (23) ◽  
pp. 2101-2112 ◽  
Author(s):  
K-E. J. Hallin ◽  
A. J. Merer
Keyword(s):  
Ground State ◽  
Vibrational Energy ◽  
Rotational Constant ◽  
Spin Rotation ◽  
High Dispersion ◽  
Vibrational Assignment ◽  
Rotation Parameters ◽  
Momentum Coupling ◽  
Parallel Band ◽  
Diabatic Representation

About 160 rotational lines in the region 7370–7410 Å in the electronic spectrum of NO2 have been assigned from high dispersion grating spectra. The lines form the K = 0,1, and 2 sub-bands of a perturbed parallel band where the upper state A rotational constant is about 17 cm−1. In a diabatic representation the band can be considered as a transition within the ground state manifold, which obtains its intensity by vibrational momentum coupling from a nearby band of the [Formula: see text] electronic transition; its vibrational assignment is 2 13 1 – 000. Comparison with the spectrum of 15NO2 shows that the nearby Ã2B2 level has quite a small amount of vibrational energy, which is not inconsistent with the assignment by Brand, Chan, and Hardwick that the (0, 0) band of the [Formula: see text] transition is at 8350 Å. The implications of the electron spin–rotation parameters and the intensity of the 7390 Å band are discussed.

scholarly journals A diabatic representation of the two lowest electronic states of Li3

2014 ◽  
Vol 140 (15) ◽  
pp. 154304 ◽  
Author(s):  
Elham Nour Ghassemi ◽  
Jonas Larson ◽  
Åsa Larson
Keyword(s):  
Electronic States ◽  
Diabatic Representation
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