Calculations of potential energy curves for the ground states of sodium hydride(1+) and potassium hydride(1+) ions and .PI. states of sodium hydride and potassium hydride molecules

1979 ◽  
Vol 83 (9) ◽  
pp. 1221-1227 ◽  
Author(s):  
Carl F. Melius ◽  
Robert W. Numrich ◽  
Donald G. Truhlar
Keyword(s):  
Potential Energy ◽  
Ground States ◽  
Sodium Hydride ◽  
Potential Energy Curves ◽  
Potassium Hydride

Potential energy curves of M(np 2P)⋅RG(2Π) excited states and M+⋅RG ground states (M=Li, Na; RG=He, Ne)

1994 ◽  
Vol 100 (11) ◽  
pp. 8212-8218 ◽  
Author(s):  
Solomon Bililign ◽  
Maciej Gutowski ◽  
Jack Simons ◽  
W. H. Breckenridge
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Ground States ◽  
Potential Energy Curves

scholarly journals Theoretical spectroscopic studies of potential energy curves and Fortran parabola for beryllium oxide molecule

2019 ◽  
Vol 11 (22) ◽  
pp. 93-101
Author(s):  
Marwa Waleed Mahmod
Keyword(s):  
Potential Energy ◽  
Electronic Transition ◽  
Ground States ◽  
Beryllium Oxide ◽  
Spectroscopic Studies ◽  
Experimental Results ◽  
Potential Energy Curves ◽  
Oxide Molecule

    Theoretical spectroscopic  studies of  beryllium oxide has been  carried out, potential energy curves for ground states X1Σ+ and exited states A1Π , B1Σ+ by using two functions Morse and  and Varshni compared with experimental results. The potentials of this molecule are agreement with experimental results. The Fortrat Parabola corrcponding to  and branches were determind in the range 1<J<20 for the (0-0) band. It was found that for electronic transition  A1Π- X1Σ+  the bands head lies in  branche of  Fortrat parabola and the bands degraded towards red region. For electronic transition B1Σ+ - A1Π Fortart parabola appeared the bands head lies in branche and the bands degraded toward violet region.      

ON THE DISSOCIATION OF PbF AND BiF MOLECULES

1965 ◽  
Vol 43 (5) ◽  
pp. 829-835 ◽  
Author(s):  
Ran B. Singh ◽  
D. K. Rai
Keyword(s):  
Excited State ◽  
Potential Energy ◽  
Potential Function ◽  
Dissociation Energy ◽  
Ground States ◽  
Potential Energy Curves ◽  
Empirical Potential ◽  
Dissociation Energies

True potential energy curves have been calculated for the A and X states of BiF and PbF molecules using the Rydberg–Klein–Rees (R.K.R.) method as modified by Vanderslice et al. It has already been shown that by fitting an empirical potential function to the actual potential (R.K.R.) curve of a state we can obtain an idea of the correct dissociation energy of the molecule in that particular state. The three-parameter Lippincott function has been used for this purpose. The resulting dissociation energies for the ground states of PbF and BiF are (2.4 ± 0.2) eV and (2.60 ± 0.2) eV respectively. In PbF a large number of band systems are known, two of which show predissociation in the upper excited state. It has been found possible to account for both of these predissociations in PbF as being due to the A state of the molecule.

scholarly journals Potential energy curves and spectroscopic properties of GeS molecules: in ground states and low-lying excited states

2016 ◽  
Vol 65 (6) ◽  
pp. 063102
Author(s):  
Huang Duo-Hui ◽  
Wan Ming-Jie ◽  
Wang Fan-Hou ◽  
Yang Jun-Sheng ◽  
Cao Qi-Long ◽  
...  
Keyword(s):  
Potential Energy ◽  
Excited States ◽  
Ground States ◽  
Spectroscopic Properties ◽  
Potential Energy Curves

Semi-emprical non-adiabatic potential energy curves for hydrogen, deutirium, and their molecule-ions

1977 ◽  
Vol 55 (19) ◽  
pp. 3420-3424 ◽  
Author(s):  
Mary Kuriyan ◽  
Huw O. Pritchard
Keyword(s):  
Energy Level ◽  
Potential Energy ◽  
Energy Levels ◽  
Ground States ◽  
Adiabatic Potential ◽  
Potential Energy Curves ◽  
Vibration Energy ◽  
Effective Potentials ◽  
Deuterium Molecule ◽  
Potential Curves

Effective non-adiabatic potential curves were constructed for the ground states of the deuterium molecule and of the hydrogen and deuterium molecule-ions by scaling our empirical non-adiabatic coupling correction for hydrogen according to the approximate rules given by Bunker. These effective potentials were refined by the techniques we have described previously, and were then used to generate the rotation–vibration energy-level spectra for H2+ and D2+; tables of these energy levels, which we consider to be the best available at the present time, are presented.

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