Accuracy of Morse and Morse-like oscillators for diatomic molecular interaction: A comparative study

A DFT investigation of lead-free TlSnX3 (X = Cl, Br, or I) perovskites for potential applications in solar cells and thermoelectric devices

“…This observation is consistent with the findings of a recent study on isoelectronic compounds like InSnX 3 (X = Cl, Br, I) perovskites. 18 This also corresponds with similar trends reported for a wide range of ABX 3 perovskites 35–41 and double perovskites. 42–49…”

“…The increase in the electrical conductivity and thermal conductivity of the studied perovskites as a function of the temperature was also observed for other isoelectronic compounds of the form InSnX 3 (X = Cl, Br, or I). 18…”

Diatomic molecule in a strong infrared laser field: level-shifts and bond-length change due to laser-dressed Morse potential

“…The calculated enthalpy of CO and I 2 , based on the Morse potential, are in excellent agreement with experimental data in a wide temperature range. The accuracy of the Morse, Manning-Rosen, Rosen-Morse and Modified-Rosen-Morse potentials was examined and compared for 34 states of 17 diatomic molecules in [37]. For the goodness-of-fit to experimental data, the classical Morse potential is more accurate than the other potentials for certain ground and excited states.…”

Morse potential specific heat with applications: an integral equations theory based

“…In this study, we apply the mean-spherical-approximation for deriving a specific heat formula of Morse potential which can be derived in multiple form such as: where Κ 0 represents the energy (equilibrium) of the interaction potential, a is the width of well parameter and r 0 is the equilibrium bond distance. The Morse potential has multiple applications in lots of chemical physics subjects, for instance: the discussing of the thermal properties of a specific system such as the diamond class materials and finding the constants of the vibrational force and the elastic properties [ 10 – 12 ], the discussing of the correlations in alloys phases [ 13 ], the discussing of the spectral analysis [ 14 ], in the study of some quantum effects [ 15 , 16 ], discussing the energy vibrational states [ 17 , 18 ], discussing the alpha decay [ 19 ], the study of the structures with other potentials [ 20 – 22 ], the study of the some dimers where this potential has wide applications [ 22 , 23 ]. In the section-2 of this article, we illustrate the method of deriving of the specific heat equation, and in the section-3, we discussed some aspects of the equation which we derive in addition to the applications of it.…”