scholarly journals Vibronic coupling model to calculate the photoelectron spectrum of phenol

2018 ◽  
Vol 515 ◽  
pp. 719-727 ◽  
Author(s):  
M.P. Taylor ◽  
G.A. Worth
Keyword(s):  
Photoelectron Spectrum ◽  
Coupling Model ◽  
Vibronic Coupling

An alternative model of the vibronic coupling in octahedral complexes

1988 ◽  
Vol 53 (6) ◽  
pp. 1134-1140
Author(s):  
Martin Breza ◽  
Peter Pelikán
Keyword(s):  
Linear Regression ◽  
Alternative Model ◽  
Potential Surface ◽  
Analytical Formula ◽  
Coupling Model ◽  
Regression Method ◽  
Vibronic Coupling ◽  
Linear Regression Method ◽  
Active Systems ◽  
Jahn Teller

It is suggested that for some transition metal hexahalo complexes, the Eg-(a1g + eg) vibronic coupling model is better suited than the classical T2g-(a1g + eg) model. For the former, alternative model, the potential constants in the analytical formula are evaluated from the numerical map of the adiabatic potential surface by using the linear regression method. The numerical values for 29 hexahalo complexes of the 1st row transition metals are obtained by the CNDO/2 method. Some interesting trends of parameters of such Jahn-Teller-active systems are disclosed.

ChemInform Abstract: A Trimer Vibronic Coupling Model for Triptycene: The Jahn-Teller and Barnett Effects.

ChemInform ◽  
2010 ◽  
Vol 24 (33) ◽  
pp. no-no
Author(s):  
M. J. RILEY ◽  
A. FURLAN ◽  
H. U. GUEDEL ◽  
S. LEUTWYLER
Keyword(s):  
Coupling Model ◽  
Vibronic Coupling ◽  
Jahn Teller

scholarly journals A trimer vibronic coupling model for triptycene: The Jahn–Teller and Barnett effects

1993 ◽  
Vol 98 (5) ◽  
pp. 3803-3815 ◽  
Author(s):  
Mark J. Riley ◽  
Alan Furlan ◽  
Hans U. Güdel ◽  
Samuel Leutwyler
Keyword(s):  
Coupling Model ◽  
Vibronic Coupling ◽  
Jahn Teller
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