Accurate internuclear potential energy functions for the ground electronic states of NeH+ and ArH+

2016 ◽  
Vol 330 ◽  
pp. 63-71 ◽  
Author(s):  
John A. Coxon ◽  
Photos G. Hajigeorgiou
Keyword(s):  
Potential Energy ◽  
Electronic States ◽  
Energy Functions ◽  
Potential Energy Functions

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.

On the potential energy functions of the electronic states of CO2+

1999 ◽  
Vol 55 (3) ◽  
pp. 447-456 ◽  
Author(s):  
R. Polák ◽  
M. Hochlaf ◽  
M. Levinas ◽  
G. Chambaud ◽  
P. Rosmus
Keyword(s):  
Potential Energy ◽  
Electronic States ◽  
Energy Functions ◽  
Potential Energy Functions

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

scholarly journals A Comparative Study of Potential Energy Curves Analytical Representations for CO, N2, P2, and ScF in Their Ground Electronic States

2021 ◽  
pp. 2536-2542
Author(s):  
Nmareq Khalid Rasheed ◽  
Adil Nameh Ayaash
Keyword(s):  
Comparative Analysis ◽  
Potential Energy ◽  
Comparative Study ◽  
Electronic States ◽  
Mathematical Representation ◽  
Energy Functions ◽  
Potential Energy Functions ◽  
Lennard Jones ◽  
Study Case ◽  
Electronic Ground

     In this study, a detailed comparative analysis of four different potential energy functions is elaborated. These potential energy functions namely are Morse, Deng-Fan, Varshni, and Lennard-Jones. Furthermore, a mathematical representation for long-range region is elucidated. As a study case, four diatomic molecules (CO, N2, P2, and ScF) in their electronic ground states were chosen. Subsequently, the corresponding dissociation energy as well as some spectroscopic parameters were calculated accordingly.

scholarly journals Theoretical intensities in the spectrum of H 2

1932 ◽  
Vol 136 (829) ◽  
pp. 264-271 ◽  
Keyword(s):  
Potential Energy ◽  
Electronic States ◽  
Visible Spectrum ◽  
Principal Term ◽  
Wave Functions ◽  
Energy Functions ◽  
Text Book ◽  
Potential Energy Functions ◽  
Intensity Measurements ◽  
Nuclear Separation

For electronic vibrational transitions in which only the lower vibrational quantum number varies, the relative intensities in emission are given by a series whose principal term is v 4 n' n" I 2 n' n" , where I n' n" = ∫ F' n' F" n" dr , and F = P r . Here r is the nuclear separation, and P has its usual meaning, as in Kronig’s text-book. Thus to this accuracy the calculated intensities depend only on the nature of the wave-functions F that are used. These in their turn depend on the potential energy functions U of the electronic states concerned. Davidson discusses various potential energy formulæ and their eigenfunctions. The formulæ will here be applied to those bands in the visible spectrum whose structure is sufficiently regular to enable the necessary constants to be specified accurately. In all cases numerical intensity measurements are available for comparison.

Sign in / Sign up

Export Citation Format

Share Document