Potential energy curves and analytical potential energy functions of the metastable states of B 2 ++

2006 ◽  
Vol 15 (9) ◽  
pp. 1981-1986 ◽  
Author(s):  
Zhang Xiao-Yan ◽  
Yang Chuan-Lu ◽  
Gao Feng ◽  
Ren Ting-Qi
Keyword(s):  
Potential Energy ◽  
Metastable States ◽  
Potential Energy Curves ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Analytical Potential

Vibrational spectra and analytical potential energy functions of some electronic states of Na2

2017 ◽  
Vol 95 (3) ◽  
pp. 253-261
Author(s):  
Qunchao Fan ◽  
Zhixiang Fan ◽  
Weiguo Sun ◽  
Yi Zhang ◽  
Jia Fu
Keyword(s):  
Potential Energy ◽  
Vibrational Spectra ◽  
Electronic States ◽  
Potential Energy Function ◽  
Spectroscopic Constants ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Analytical Potential ◽  
Consistent Method ◽  
Vibrational Energies

The improved variational algebraic energy consistent method (VAECM) is suggested to study the vibrational spectra and analytical potential energy functions of six excited electronic states [Formula: see text], 21Δg, (5d)1Δg, (6d)1Δg, (7d)1Δg, and (8d)1Δg of Na2. The full vibrational energies, the vibrational spectroscopic constants, the force constants fn, and the expansion coefficients an of the potential are tabulated. The VAECM analytical potential energy function with adjustable parameter λ for each electronic state is determined. The full vibrational energies of each of these electronic states correctly converge to its dissociation energy and have no artificial barrier in all the calculation ranges. The VAECM analytical potentials excellently agree with the Rydberg–Klein–Rees potentials.

Analytical potential energy functions for some interhalogen diatomic electronic states

2015 ◽  
Vol 69 (1) ◽  
Author(s):  
Qunchao Fan ◽  
Zhixiang Fan ◽  
Yanping Nie ◽  
Weiguo Sun ◽  
Yi Zhang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Electronic States ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Analytical Potential

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.

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