scholarly journals Analytical Potential Energy Functions and Dissociation Limits for Excited States of He2 Molecule

2012 ◽  
Vol 02 (03) ◽  
pp. 55-59
Author(s):  
云光 张
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Analytical Potential

Analytical potential energy functions for the ground and some excited states of N2

2014 ◽  
Vol 112 (20) ◽  
pp. 2665-2671 ◽  
Author(s):  
Zhixiang Fan ◽  
Qunchao Fan ◽  
Yanping Nie ◽  
Weiguo Sun ◽  
Yi Zhang ◽  
...  
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
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.

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