Undulations of the potential-energy curves for highly excited electronic states in diatomic molecules related to the atomic orbital undulations

1999 ◽  
Vol 59 (2) ◽  
pp. 1178-1186 ◽  
Author(s):  
Alexandra Yiannopoulou ◽  
Gwang-Hi Jeung ◽  
Su Jin Park ◽  
Hyo Sug Lee ◽  
Yoon Sup Lee
2002 ◽  
Vol 117 (8) ◽  
pp. 3639-3646 ◽  
Author(s):  
Ioannis D. Petsalakis ◽  
Giannoula Theodorakopoulos ◽  
Heinz-Peter Liebermann ◽  
Robert J. Buenker

A new and flexible function that is a valid representation of the potential energy of diatomic molecules within the entire range of accessible internuclear separations is proposed. This function is shown to be a member of a family of functions that includes previous polynomial functions having more restricted validity. Methods of generating the coefficients (parameters) of the new function are described, and tables of these parameters for a selection of molecules, including some ground and some excited electronic states,are presented.


2009 ◽  
Vol 131 (4) ◽  
pp. 044302 ◽  
Author(s):  
Kathleen McCann ◽  
Martin Wagner ◽  
Aaron Guerra ◽  
Paul Coronado ◽  
J. R. Villarreal ◽  
...  

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