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Register a new userThermal Properties of Deng-Fan-Eckart Potential model using Poisson Summation Approach
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The Deng-Fan-Eckart (DFE) potential is as good as the Morse potential in studying atomic interaction in diatomic molecules. By using the improved Pekeris-type approximation, to deal with the centrifugal term, we obtain the bound-state solutions of the radial Schrodinger equation with this adopted molecular model via the Factorization Method. With the energy equation obtained, the thermodynamic properties of some selected diatomic molecules(H2 , CO , and ScN ) were obtained using Poisson summation method.. The unnormalized wave function is also derived. The energy spectrum for a set of diatomic molecules for different values of the vibrational n and rotational l are obtained. To show the accuracy of our results, we discuss some special cases by adjusting some potential parameters and also compute the numerical eigenvalue of the Deng-Fan potential for comparison sake. However, it was found out that our results agree excellently with the results obtained via other methods.
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Due to one of the most representative contributions to the energy in diatomic molecules being the vibrational, we consider the generalized Morse potential (GMP) as one of the typical potential of interaction for one-dimensional microscopic systems, which describes local anharmonic effects. From Eckart potential (EP) model, it is possible to find a connection with the GMP model, as well as obtain the analytical expression for the energy spectrum because it is based on $S,Oleft(2,1right)$ algebras. In this work we find the macroscopic properties such as vibrational mean energy $U$, specific heat $C$, Helmholtz free energy $F$ and entropy $S$ for a heteronuclear diatomic system, along with the exact partition function and its approximation for the high temperature region. Finally, we make a comparison between the graphs of some thermodynamic functions obtained with the GMP and the Morse potential (MP) for $H,Cl$ molecules.
We develop a motivic integration version of the Poisson summation formula for function fields, with values in the Grothendieck ring of definable exponential sums. We also study division algebras over the function field, and obtain relations among the motivic Fourier transforms of a test function at different completions. We use these to prove, in a special case, a motivic version of a theorem of Deligne-Kazhdan-Vigneras.
The reduced 1D Poisson-Nernst-Planck (PNP) model of artificial nanopores in the presence of a permanent charge on the channel wall is studied. More specifically, we consider the limit where the channel length exceed much the Debye screening length and channels charge is sufficiently small. Ion transport is described by the nonequillibrium steady-state solution of the PNP system within a singular perturbation treatment. The quantities, 1/lambda -- the ratio of the Debye length to a characteristic length scale and epsilon -- the scaled intrinsic charge density, serve as the singular and the regular perturbation parameters, respectively. The role of the boundary conditions is discussed. A comparison between numerics and the analytical results of the singular perturbation theory is presented.
In order to describe few-body scattering in the case of the Coulomb interaction, an approach based on splitting the reaction potential into a finite range part and a long range tail part is presented. The solution to the Schrodinger equation for the long range tail is used as an incoming wave in an inhomogeneous Schrodinger equation with the finite range potential. The resulting equation with asymptotic outgoing waves is then solved with the exterior complex scaling. The potential splitting approach is illustrated with calculations of scattering processes in the H${}^+$ -- H${}^+_2$ system considered as the three-body system with one-state electronic potential surface.
We generalize Dahmen-Micchelli deconvolution formula for Box splines with parameters. Our proof is based on identities for Poisson summation of rational functions with poles on hyperplanes.
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