Analyzing the Effects of Topological Defect (TD) on the Energy Spectra and Thermal Properties of LiH, TiC and I2 Diatomic Molecules

In this study, the impacts of TD on the energy spectra and thermal properties of LiH, TiC and I2 diatomic molecules is considered. The Schrodinger equation in cosmic string spacetime is solved with the generalized Morse potential using the well-known (NU) method. The energy spectra and eigenfunction are obtained respectively. The energy spectra is used to obtain the partition function which is then used to evaluate the thermal properties of the system is evaluated accordingly. We find that the energy spectra in the presence of the TD differ from their flat Minkowski spacetime analogue. The effects of the deformation parameter and TD on the thermal properties of the system is also analysed in detail. We observe that the specific heat capacity of the system tends to exhibit quasi-saturation as the deformation parameter and topological defect approaches unity. The results of our study can be applied in the astrophysical situation where these modifications exist in the understanding of spectroscopical data and it may be used as a probe of the presence of a cosmic string or a global monopole in the Universe.

A New Generalized Morse Potential Function for Calculating Cohesive Energy of Nanoparticles

A new generalized Morse potential function with an additional parameter m is proposed to calculate the cohesive energy of nanoparticles. The calculations showed that a generalized Morse potential function using different values for the m and α parameters can be used to predict experimental values for the cohesive energy of nanoparticles. Moreover, the enlargement of the attractive force in the generalized potential function plays an important role in describing the stability of the nanoparticles rather than the softening of the repulsive interaction in the cases when m > 1.

A Modern Approach for the Identification of the Classical and Modified Generalized Morse Potential

Introduction: This paper proposes an approach for parameter estimation of the Classical and Generalized Morse Potential functions. A new potential which is a modification of the Generalized Morse Potential was proposed as parameter estimates yielded complex conjugate roots using gold atom for simulation. Methods: Existing methods of parameter estimation requires the provision of initial guess values of which convergence to the optimal solution is not always guaranteed. This makes provision of initial guess values that guarantees convergence to the optimum solution more of an art than a science. The proposed objective least squares function method does not require the provision of initial guess values and it involves the minimization of two formulated objective functions using the differential numerical approach and least squares method. The built-in “Minimize” function of Mathematica® is also used to minimize the formulated objective function. Potential energy curves were constructed by fitting estimated parameter values to experimental data sets of the gold atom using values of the proposed approach and Mathematica® for performance evaluation. Errors of each constructed potential energy curves were simulated. Results: It was observed that the errors were very small for both the Classical and Modified Generalized Morse Potential. Conclusion: Hence the approximations of the proposed approach are very good.

Relativistic treatment of the Hellmann-generalized morse potential

We present the relativistic treatment of the Hellmann-generalized Morse potential using Nikiforov-Uvarov(NU) method. The relativistic equations(Klein-Gordon and Dirac equation) were solved using the conventional NU method. In order to overcome the centrifugal barrier, we employed the well-known Greene and Aldrich approximation scheme. The corresponding normalized eigenfunctions was also obtained in each case. It was shown that in the non-relativistic limits, both energy equations obtained by solving Klein-Gordon and Dirac equations, and wavefunctions reduced to the non-relativisitc energy Equation. The bound state energy eigenvalues for N2, CO, NO, CH and HCl diatomic molecules were computed for various vibrational and rotational quantum numbers. It was found that our results agree with those in literature.

Investigation of DNA denaturation from generalized Morse potential

In this paper, we present a non-linear model for the study of DNA denaturation transition. To this end, we assume that the double-strands DNA interact via a realistic generalized Morse potential that reproduces well the features of the real interaction. Using the Transfer Matrix Method, based on the resolution of a Schrödinger equation, we first determine exactly their solution, which are found to be bound states. Second, from an exact expression of the ground state, we compute the denaturation temperature and the free energy density, in terms of the parameters of the potential.Then, we calculate the contact probability, which is the probability to find the double-strands at a (finite) distance apart, from which we determine the behaviour of the mean-distance between DNA-strands.The main conclusion is that, the present analytical study reveals that the generalized Morse potential is a good candidate for the study of DNA denaturation