A new modified Morse potential energy function for diatomic molecules

2020 ◽  
Vol 95 (8) ◽  
pp. 085401
Author(s):  
A M Desai ◽  
N Mesquita ◽  
V Fernandes
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Morse Potential ◽  
Diatomic Molecules ◽  
Potential Energy Function

A Quasi-Universal Internuclear Potential Energy Function for the Diatomic Halides

1970 ◽  
Vol 25 (12) ◽  
pp. 1932-1936
Author(s):  
Walter Yeranos
Keyword(s):  
Potential Energy ◽  
Potential Function ◽  
Energy Function ◽  
Morse Potential ◽  
Potential Energy Function ◽  
Internal Check ◽  
Dissociation Energies ◽  
Universal Correlation ◽  
Type V ◽  
Parameter Function

Abstract Taking into account the universal correlation of the force constants of halide bonds with their respective dissociation energies (excluding the fluorides), an internuclear potential energy function of the type V(r) = De (1-e-α(r-re))2 + β (1-δF,X) (r - re)2e-γ(r-re) has been proposed for the diatomic halides. α und β, in the latter are constants for a specific series, γ is determined from the rotational-vibrational constant αe, and the function reduces to the ordinary Morse potential function in the case of the fluorides. It, moreover, performs as well as the Hulburt-Hirschfelder 5-parameter function, and, unlike the latter, utilizes the anharmoni-city constant ωeXe as an internal check.

New analytical potential energy function for doubly charged diatomic molecules

2005 ◽  
Vol 14 (2) ◽  
pp. 317-322 ◽  
Author(s):  
Wang Fan-Hou ◽  
Yang Chuan-Lu ◽  
Zhu Zheng-He ◽  
Jing Fu-Qian
Keyword(s):  
Potential Energy ◽  
Energy Function ◽  
Diatomic Molecules ◽  
Potential Energy Function ◽  
Analytical Potential ◽  
Doubly Charged
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