Use of the virial theorem in construction of potential energy functions for diatomic molecules

1977 ◽  
Vol 67 (4) ◽  
pp. 1324-1334 ◽  
Author(s):  
Roman F. Nalewajski ◽  
Robert G. Parr
Keyword(s):  
Potential Energy ◽  
Virial Theorem ◽  
Diatomic Molecules ◽  
Energy Functions ◽  
Potential Energy Functions

Approximations for the inner branch of potential curves of diatomic molecules

1988 ◽  
Vol 66 (4) ◽  
pp. 763-766 ◽  
Author(s):  
Y. P. Varshni
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
The Other ◽  
Potential Curve ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Potential Curves

Three potential energy functions are examined with respect to their ability to reproduce the inner branch of the potential curve for 43 molecular states. Two of the states turn out to be unusual. In the remaining 41 cases, it is found that a potential proposed by the author gives the least error in 28 cases and is close to the least error in another six. The potential curves of NaAr(X) and XeCl(X) are very different from those of the other 41 states considered in this paper. The Born–Mayer potential appears to provide a reasonable representation of the inner branch of the potential curve for XeCl(X).

Erratum: Potential Energy Functions for Diatomic Molecules

1961 ◽  
Vol 35 (5) ◽  
pp. 1901-1901 ◽  
Author(s):  
Hugh M. Hulburt ◽  
Joseph O. Hirschfelder
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
Energy Functions ◽  
Potential Energy Functions

Potential Energy Functions for Diatomic Molecules

1941 ◽  
Vol 9 (1) ◽  
pp. 61-69 ◽  
Author(s):  
Hugh M. Hulburt ◽  
Joseph O. Hirschfelder
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
Energy Functions ◽  
Potential Energy Functions
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