Comparative study of the semiempirical three-parameter potential energy functions for diatomic molecules

1974 ◽  
Vol 17 (11) ◽  
pp. 1511-1514 ◽  
Author(s):  
V. G. Blinkova
Keyword(s):  
Potential Energy ◽  
Comparative Study ◽  
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

A COMPARATIVE STUDY OF EMPIRICAL POTENTIAL ENERGY FUNCTIONS: APPLICATIONS TO SILICON MICROCLUSTERS

2004 ◽  
Vol 15 (03) ◽  
pp. 403-408 ◽  
Author(s):  
ŞAKIR ERKOÇ ◽  
KUNIO TAKAHASHI
Keyword(s):  
Potential Energy ◽  
Comparative Study ◽  
Linear Structure ◽  
Potential Functions ◽  
Energy Functions ◽  
Tetrahedral Structure ◽  
Potential Energy Functions ◽  
Empirical Potential ◽  
Triangular Structure

A comparative study has been performed for silicon microclusters, Si 3 and Si 4, considering fifteen different empirical potential energy functions. It has been found that only two of the empirical potential energy functions give linear structure more stable for Si 3, the remaining potential functions give triangular structure as more stable. In the case of Si 4 microclusters eight potential functions give open tetrahedral structure as more stable, two functions give perfect tetrahedral as more stable, three functions give square structure as more stable, and two functions give linear structure as more stable.

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