Use of the approximation of the morse potential for quantum calculations of force constants of diatomic molecules

1978 ◽  
Vol 29 (5) ◽  
pp. 1401-1402
Author(s):  
V. I. Perevozchikov ◽  
L. A. Gribov
Keyword(s):  
Morse Potential ◽  
Diatomic Molecules ◽  
Force Constants ◽  
Quantum Calculations

Analytical solutions of fractional Schrödinger equation and thermal properties of Morse potential for some diatomic molecules

2021 ◽  
pp. 2150041
Author(s):  
U. S. Okorie ◽  
A. N. Ikot ◽  
G. J. Rampho ◽  
P. O. Amadi ◽  
Hewa Y. Abdullah
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Morse Potential ◽  
State Energy ◽  
Diatomic Molecules ◽  
Bound State ◽  
Bound State Energy ◽  
Fractional Schrödinger Equation ◽  
Energy Eigenvalues ◽  
Fractional Schrodinger Equation

By employing the concept of conformable fractional Nikiforov–Uvarov (NU) method, we solved the fractional Schrödinger equation with the Morse potential in one dimension. The analytical expressions of the bound state energy eigenvalues and eigenfunctions for the Morse potential were obtained. Numerical results for the energies of Morse potential for the selected diatomic molecules were computed for different fractional parameters chosen arbitrarily. Also, the graphical variation of the bound state energy eigenvalues of the Morse potential for hydrogen dimer with vibrational quantum number and the range of the potential were discussed, with regards to the selected fractional parameters. The vibrational partition function and other thermodynamic properties such as vibrational internal energy, vibrational free energy, vibrational entropy and vibrational specific heat capacity were evaluated in terms of temperature. Our results are new and have not been reported in any literature before.

Computation of the rotational transition probabilities of diatomic molecules with a morse potential

1978 ◽  
Vol 19 (3) ◽  
pp. 287-292 ◽  
Author(s):  
A. N. Vargin ◽  
N. A. Ganina ◽  
�. K. Kostyuchenko ◽  
V. K. Konyukhov ◽  
A. I. Lukovnikov ◽  
...  
Keyword(s):  
Morse Potential ◽  
Transition Probabilities ◽  
Diatomic Molecules ◽  
Rotational Transition

Modified Morse Potential for Diatomic Molecules

1998 ◽  
Vol 191 (1) ◽  
pp. 137-141 ◽  
Author(s):  
A.R. Lee ◽  
T.M. Kalotas ◽  
N.A. Adams
Keyword(s):  
Morse Potential ◽  
Diatomic Molecules

AbInitio Computation of Force Constants. II. The Estimation of Dissociation Energies from abinitio SCF Calculations

1975 ◽  
Vol 53 (23) ◽  
pp. 3599-3601 ◽  
Author(s):  
H. Bernhard Schlegel ◽  
Saul Wolfe ◽  
Fernando Bernardi
Keyword(s):  
Morse Potential ◽  
Force Constants ◽  
Hartree Fock ◽  
Dissociation Energies ◽  
Scf Calculations

The dissociation energies of second and third period hydrides have been estimated by fitting a Morse potential to the harmonic and cubic stretching force constants computed from abinitio wavefunctions. The estimates thus obtained are superior to dissociation energies computed by direct differences of Hartree–Fock energies.

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