Abstract:We solve the Schrödinger wave equation for the generalized Morse and Cusp molecular potential models. In the limit of high temperature, at first, we need to calculate the canonical partition function which is basically used to study the behavior of the thermodynamic functions. Based on this, we further calculate the thermodynamic quantities such as the free energy, the entropy, the mean energy and the specific heat.Their behavior with the temperature has been investigated. In addition, the susceptibility for t… Show more
“…Examples of diatomic molecule potentials are listed in Refs. [ [7] , [8] , [9] , [10] , [11] , [12] , [13] , [14] , [15] ].…”
Section: Introductionmentioning
confidence: 99%
“…Diatomic oscillators and atomic potential energy functions are important in the subject of molecular spectroscopy and quantum mechanics due to the information they provide about the quantum states of atoms and molecules of interest. For instance, by solving the wave equation within the non-relativistic and relativistic regimes, under potential functions, many physical properties of systems such as optical, magnetic, electrical, thermodynamic and thermo-chemical properties among others have been investigated [ 9 , [16] , [17] , [18] , [19] , [20] , [21] , [22] , [23] , [24] , [25] , [26] , [27] , [28] ].…”
“…Examples of diatomic molecule potentials are listed in Refs. [ [7] , [8] , [9] , [10] , [11] , [12] , [13] , [14] , [15] ].…”
Section: Introductionmentioning
confidence: 99%
“…Diatomic oscillators and atomic potential energy functions are important in the subject of molecular spectroscopy and quantum mechanics due to the information they provide about the quantum states of atoms and molecules of interest. For instance, by solving the wave equation within the non-relativistic and relativistic regimes, under potential functions, many physical properties of systems such as optical, magnetic, electrical, thermodynamic and thermo-chemical properties among others have been investigated [ 9 , [16] , [17] , [18] , [19] , [20] , [21] , [22] , [23] , [24] , [25] , [26] , [27] , [28] ].…”
“…In many branches of physics, much attention is given to the wave functions of a system owing to the fact that from such wave functions all necessary information regarding the system under probe can be retrieved [1,2]. Wave functions of a system are not readily handy, they require solving a second order differential equation such as the Schrödinger equation for a given potential energy function.…”
Section: Introductionmentioning
confidence: 99%
“…The analytical solution of Schrödinger equation for a given potential model involves: application of a suitable approximation scheme [8,9] to model the centrifugal term given as m L r 2 , 2 2 where L=J (J+1) is the angular momentum of the system, after which the resulting equation is solved. Different methods have been developed and used by researchers to obtain analytical solutions of the Schrödinger equation, some of these include: supersymmetric shape invariance approach [10], Nikiforov-Uvarov method and its parametric form [11,12], asymptotic iteration method [1,4,13], exact quantization [14,15] and proper quantization [15,16] rules.…”
Section: Introductionmentioning
confidence: 99%
“…By solving the Schrödinger equation with general Morse and Cusp potentials, expressions derived for rovibrational energies were used to study the thermal and optical properties for these potential functions [2]. Ikot et al through asymptotic iteration method solved the Schrödinger equation and obtained thermodynamic functions of the general molecular potential [13].…”
In this work, we have solved the radial part of the Schrödinger equation with Tietz potential to obtain explicit expressions for bound state ro-vibrational energies and radial eigenfunctions. The proper quantization rule and ansatz solution technique were used to arrive at the solutions. In modeling the pseudo-spin–orbit term of the effective potential, the Pekeris-like and the Greene-Aldrich approximation recipes were applied. Using our equation for eigen energies, we have deduced expression for bound state energy eigenvalues of Deng-Fan oscillator. The result obtained agrees with available literature data for this potential. Also, for arbitrary values of rotational and vibrational quantum numbers, we have calculated bound state energies for the Tietz oscillator. Our computed results are in excellent agreement with those in the literature. Furthermore, the result showed that unlike Greene-Aldrich approximation, energies computed based on Pekeris-like approximation are better and almost indistinguishable from numerically obtained energies of the Tietz oscillator in the literature. With the help of our formula for ro-vibrational energy, analytical expressions for some important thermodynamic relations were also derived for the Tietz oscillator. The derived thermal functions which include ro-vibrational: partition function, free energy, mean energy, entropy and specific heat capacity were subsequently applied to the spectroscopic data of KI diatomic molecule. Studies of the thermal functions indicated that the partition function decreases monotonically as the temperature is raised and increases linearly for increase in the upper bound vibrational quantum number. On the other hand, increase in either temperature or upper bound vibrational quantum number amounts to monotonic rise in the entropy of the KI molecules
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