Scattering of High‐Energy Atomic Beams: The Determination of Atom–Molecule Potential‐Energy Functions

1969 ◽  
Vol 50 (6) ◽  
pp. 2773-2774 ◽  
Author(s):  
Richard D. Fink ◽  
John S. King ◽  
John H. Freeman
Keyword(s):  
Potential Energy ◽  
High Energy ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Atomic Beams

The direct determination of pair potential energy functions for mixed interactions: Ar-Kr

1975 ◽  
Vol 29 (6) ◽  
pp. 1759-1765 ◽  
Author(s):  
D.W. Gough ◽  
G.P. Matthews ◽  
E.B. Smith ◽  
G.C. Maitland
Keyword(s):  
Potential Energy ◽  
Pair Potential ◽  
Direct Determination ◽  
Energy Functions ◽  
Potential Energy Functions

scholarly journals On the use of the rotational isomeric state approximation in studies of internal rotation

1983 ◽  
Vol 61 (1) ◽  
pp. 163-170 ◽  
Author(s):  
Victor M. S. Gil ◽  
Antonio J. C. Varandas ◽  
John N. Murrell
Keyword(s):  
Potential Energy ◽  
Internal Rotation ◽  
Isomeric State ◽  
Model Potential ◽  
Energy Curve ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Rotational Isomeric State ◽  
State Approximation

A critical appraisal is made of the validity of the rotational isomeric state (RIS) approximation in studies of rotational isomerism, especially as far as the determination of energy differences for the stable conformers is concerned. By using simple model potential energy functions for internal rotation appropriate to some ethane derivatives, a comparison is made between the thermodynamic parameters that can be extracted from such potential functions and those obtained by applying the RIS method to continuum averaged values of conformation dependent properties. The effects due to the form of this conformation dependence, to the features of the potential energy curve, and to the temperature are discussed. The errors can be very large for realistic situations, and variable with temperature and with the property being studied; cases for which the errors are small are usually accidental.

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