Potential functions for the inner branches of diatomic potential curves

1989 ◽  
Vol 67 (5) ◽  
pp. 820-821 ◽  
Author(s):  
Joel Tellinghuisen
Keyword(s):  
Potential Energy ◽  
Relative Error ◽  
Diatomic Molecules ◽  
Potential Functions ◽  
Potential Energy Curves ◽  
Maximum Relative Error ◽  
Absolute Value ◽  
Potential Parameters ◽  
Potential Curves

The performance of simple three-parameter potential functions in predicting the inner branches of known diatomic potentials is tested for 35 diatomic molecular states. The Varshni III potential outperforms the Morse and Rydberg functions when the spectroscopic Re, ωe, and De values are used to define the potential parameters, but all three functions perform comparably well when Re, ωe, and ωexe are used. In the latter case the 35 potentials show an average absolute value of about 0.6% for the maximum relative error. Keywords: diatomic molecules, potential energy curves.

On the Validity of Tietz Potential Functions for Diatomic Molecules

1972 ◽  
Vol 50 (5) ◽  
pp. 428-430 ◽  
Author(s):  
S. B. Rai ◽  
V. N. Sharma ◽  
D. K. Rai
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
Potential Functions ◽  
Potential Energy Curves ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Tietz Potential

The potential energy curves for several diatomic molecules have been calculated by using Tietz potential energy functions and the values thus obtained have been compared with that of RKRV. It is found that in some cases this empirical form is a good approximation to the true curve.

The Schrödinger–Riccati equation. The ground-state energy of Be I

2002 ◽  
Vol 80 (9) ◽  
pp. 1053-1057 ◽  
Author(s):  
S Fraga ◽  
JM García de la Vega ◽  
E S Fraga
Keyword(s):  
Riccati Equation ◽  
Relative Error ◽  
Ground State Energy ◽  
Ground State ◽  
State Energy ◽  
Maximum Relative Error ◽  
Statistical Calculation ◽  
Absolute Value ◽  
A Value ◽  
Exact Energy

The Schrödinger–Riccati equation has been used for the prediction of the ground-state energy of Be I. A statistical calculation yields a value of –14.670 hartree, with a maximum relative error of 0.02% (in absolute value) with respect to the exact energy of –14.667 36 hartree. PACS Nos.: 31.25Eb, 31.10+z, 02.70-c, 31.15Bs

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).

Determination of accurate potential energy curves for diatomic molecules

2001 ◽  
Author(s):  
W. Jastrzebski ◽  
W. Jasniecki ◽  
Pawel Kowalczyk ◽  
R. Nadyak ◽  
A. Pashov
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
Potential Energy Curves

A new representation of potential energy curves for diatomic molecules

1984 ◽  
Vol 81 (10) ◽  
pp. 4540-4545 ◽  
Author(s):  
Gustavo A. Arteca ◽  
Francisco M. Fernández ◽  
Eduardo A. Castro
Keyword(s):  
Potential Energy ◽  
Diatomic Molecules ◽  
Potential Energy Curves
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