Theoretical investigation of excited and Rydberg states of imidogen radical NH: Potential energy curves, spectroscopic constants, and dipole moment functions

2007 ◽  
Vol 126 (24) ◽  
pp. 244302 ◽  
Author(s):  
L. C. Owono Owono ◽  
N. Jaidane ◽  
M. G. Kwato Njock ◽  
Z. Ben Lakhdar
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Theoretical Investigation ◽  
Rydberg States ◽  
Potential Energy Curves ◽  
Spectroscopic Constants ◽  
Moment Functions

Spectroscopic constants and potential-energy curves for the Rydberg states of NaHe

2019 ◽  
Vol 235 ◽  
pp. 120-126
Author(s):  
Sergei V. Elfimov ◽  
Dmitrii L. Dorofeev ◽  
Anastasia S. Chervinskaya ◽  
Boris A. Zon
Keyword(s):  
Potential Energy ◽  
Rydberg States ◽  
Potential Energy Curves ◽  
Spectroscopic Constants

Calculation of Molecular Constants for the 1∑+ Ground States of the NeH+ and KrH+ Ions

1980 ◽  
Vol 35 (10) ◽  
pp. 1066-1070 ◽  
Author(s):  
P. Rosmus ◽  
E.-A. Reinsch
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Transition Probability ◽  
Ground States ◽  
Wave Functions ◽  
Spectroscopic Constants ◽  
Molecular Constants ◽  
Moment Functions ◽  
Electronic Wave Functions ◽  
Highly Correlated

Abstract Potential energy and dipole moment functions have been calculated for the ground states of the NeH+ (1.0 ≦ R ≦ 15 a. u.) and the KrH+ (1.6 ≦ R ≦ 20 a. u.) ion from highly correlated SCEP/VAR and SCEP/CEPA electronic wave functions. The following spectroscopic constants have been derived: Ne20H+ re = 0.996 ± 0.003 Å, ωe = 2896 ± 20cm-1 , D0(Ne + H+) = 2.10 ± 0.05 eV; Kr84H+ re = 1.419 ± 0.003 Å, ωe = 2561 ±20 cm-1 , D0(Kr + H+) = 4.65 ±0.05 eV. The Einstein transition probability coefficients of spontaneous emission have been calculated for all transitions v ≦ 5 of Ne20H+, Ne20D+, Kr84H+ and Kr84D+, respectively.

Potential energy curves, spectroscopic constants, and vibrational energy levels of CS+(X2Σ+/A2Π)

2019 ◽  
Vol 118 (2) ◽  
pp. e1597199
Author(s):  
Lulu Zhang ◽  
Daguang Yue ◽  
Juan Zhao ◽  
Yuzhi Song ◽  
Qingtian Meng
Keyword(s):  
Potential Energy ◽  
Vibrational Energy ◽  
Energy Levels ◽  
Potential Energy Curves ◽  
Spectroscopic Constants ◽  
Vibrational Energy Levels
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