In the present study, the improved screened Kratzer potential (ISKP) is investigated in the presence of external magnetic and Aharanov-Bohm (AB) fields within the framework of non-relativistic quantum mechanics. The Schrodinger equation is solved via the Nikiforov-Uvarov Functional Analysis (NUFA) method and the energy spectra and the corresponding wave function for the ISKP in the presence of external magnetic fields are obtained in a closed form. The obtained energy spectra are used to study three selected diatomic molecules (H2, HCl and LiH). It is observed that the present of the magnetic and AB fields removes the degeneracy for different values of the control parameter. The thermodynamic and magnetic properties of the ISKP in the present of the magnetic and AB fields are also evaluated. The effects of the control potential parameter on the thermodynamic and magnetic properties of the selected diatomic molecules are discussed.
The study of diatomic molecules plays a central role in the understanding of the chemical bond. For their simplicity, they serve as a model for the study of more complex molecular systems. In this article, we solve the rovibrational Schrödinger equation for diatomic molecules using the Kratzer oscillator, by means of so(2,1) Lie algebra. The energies and bound states for this simple model are obtained through a canonical transformation of the molecular Hamiltonian. The main contribution of the Lie-algebraic approach is that this allows us to reduce the degree of Schrödinger equation, obtaining…
In this study, we apply the parametric Nikiforov-Uvarov method to obtain the bound state solution of Schrodinger wave equation in the presence of Kratzer plus generalized Morse potential (KPGM). The energy eigen equation and the corresponding normalised wave function were obtained in closed form. The resulting energy eigen equation were use to study partition function and other thermodynamic properties such as vibrational mean energy, vibrational specific heat capacity, vibrational mean free energy and vibrational entropy for the proposed potential as applied to lithium hydride diatomic molecu…
Shannon entropy ($S$), Fisher information ($I$) and a measure equivalent to Fisher-Shannon complexity $(C_{IS})$ of a ro-vibrational state of diatomic molecules (O$_2$, O$_2^+$, NO, NO$^+$) with generalized Kratzer potential is analyzed. \emph{Exact} analytical expression of $I_{\rvec}$ is derived for the arbitrary state, whereas the same could be done for $I_{\pvec}$ with $\{n,\ell,m=0\}$ state. It is found that shifting from neutral to the cationic system, $I_{\rvec}$ increases while $S_{\rvec}$ decreases, consistent with the interpretation of a localization in the probability distribution. …
We solve the Schrodinger equation to obtain the energy eigenvalues expression of the screened Kratzer potential (SKP) model. With the energy eigenvalues, we evaluated for the partition function within the framework of superstatistics and extended to study the thermodynamic function for some selected diatomic molecules including HCl, LiH and H2. The modified Dirac delta and uniform distribution comparatively in each case in the absence and the presence of the deformation parameter were considered.
The behaviour of a neutral particle (atom, molecule) with an induced electric dipole moment in a region with a uniform effective magnetic field under the influence of the Kratzer potential [A. Kratzer, Z. Phys. 3, 289 (1920)] and rotating effects is analysed. It is shown that the degeneracy of the Landau-type levels is broken and the angular frequency of the system acquires a new contribution that stems from the rotation effects. Moreover, in the search for bound states solutions, then, it is shown that the possible values of this angular frequency of the system are determined by the quantum n…
New entropic inequalities are obtained for Franck-Condon factors (FCF-s) of diatomic molecules in adiabatic harmonic oscillator approximation. The probability distributions associated with FCF-s of diatomic molecules are presented in the form of joint-probability distributions of either two or three random variables. In view of this representation information inequalities corresponding to subadditivity condition is found and in case of harmonic oscillator approximation is obtained in explicit form of new inequalities for Hermite polynomials. Physical meaning of obtained entropic-information in…
The approximate bound state solutions of the Schrodinger equation with shifted Deng-Fan potential was obtained via proper quantization rule. The energy spectra for the homogenous diatomic molecules (H2, I2); the heterogeneous diatomic molecules (CO, HCl, LiH); the neutral transition metal hydrides (ScH, TiH, VH, CrH); the transition-metal lithide (CuLi); the transition-metal carbides (TiC, NiC); the transition- metal nitrite (ScN) and the transition-metal fluoride (ScF) were calculated. By applying Hellmann-Feynman theorem, the expression for the expectation values of the square of inverse of …
In this research article, thermal properties of energy dependent Kratzer potential (EDKP) for CO diatomic molecule is presented. The non-relativistic energy spectra earlier obtained by Ikot et al. [7] for EDKP was utilized to numerically obtain the partition function. This partition function was then used to obtain the thermal properties (such specific heat capacity, entropy, mean energy and Helmholtz free energy) of this system numerically for negative and positive values of the energy slope parameter respectively. It is observed that the energy slope parameter regulates the behavior of the s…
In this paper we present a closed-form expression of the vibrational partition function for the one-dimensional q-deformed Morse potential energy model. Through this function the related thermodynamic functions are derived and studied in terms of the parameters of the model. Specially, we plotted the q-deformed vibrational partition function, and vibrational specific heat for some diatomic molecule systems such as H2, HCl, LiH and CO. The idea of a critical temperature T_{C} is introduced in relation to the specific heat.
In this work, we used a tool of conventional Nikiforov-Uvarov method to determine bound state solution of Schrodinger equation with quantum interaction potential called Hulthen-Yukawa inversely quadratic potential (HYIQP). We obtained the energy eigen values and the total wave function . We employed Hellmann-Feynmann Theorem (HFT) to compute expectation values for four different diatomic molecules: Hydrogen molecule (H2), Lithium hydride molecule (LiH), Hydrogen Chloride molecule (HCl) and Carbon(II)Oxide molecule. The resulting energy equation reduces to three well known potentials which are:…
A Quantum Phase Transition (QPT) in a simple model that describes the coexistence of atoms and diatomic molecules is studied. The model, that is briefly discussed, presents a second order ground state phase transition in the thermodynamic (or large particle number) limit, changing from a molecular condensate in one phase to an equilibrium of diatomic molecules-atoms in coexistence in the other one. Usual markers for this phase transition are the ground state energy and the expectation value of the number of atoms (or, alternatvely, the number of molecules) in the ground state. In this work, ot…
A solution of the fractional N-dimensional radial Schrodinger equation with the Deng-Fan potential is investigated by the generalized fractional NU method. The analytical formulas of energy eigenvalues and corresponding eigen functions for the Deng-Fan potential are generated. Furthermore, the current results are applied to several diatomic molecules for the Deng-Fan potential as well as the shifted Deng Fan potential. For both the Deng-Fan potential and its shifted potential, the effect of the fractional parameter on the energy levels of various diatomic molecules is examined numerically and …
In this study, we obtain the approximate analytical solutions of the radial Schrodinger equation for the New Generalized Morse-Like Potential in arbitrary dimensions by using the Nikiforov Uvarov Method. Energy eigenvalues and corresponding eigenfunction are obtain analytically. The rotational-vibrational energy eigenvalues for some diatomic molecules are computed with the aid of some spectroscopic parameters. The energy equation for some potentials such as Attarctive Radial and Deng-Fan potentials have also been obtained by varying some potential parameters. Our results excellently agree with…
Rotation and vibration of diatomic molecule in the spatially-dependent mass Schrodinger equation with generalized q-deformed Morse potential
利用参数化推广的Nikiforov-Uvarov（NU）方法结合Pekeris近似方法，近似求解了具有离心项l（l+1）/r2的双原子分子空间质量Schrodinger方程的解析解.能量本征值和相应的归一化径向波函数以封闭形式计算，其中物理激励选择类莫尔斯质量函数的倒数，m（r）= m 0/（1-deltae^{-a（r- r_{e}）}）2，0<delta<1，其中a和r_{e}是势的范围和核的平衡位置。还研究了delta=0时的等质量情况。计算了H_2、LiH、HCl和CO双原子分子的能态，并与用其它近似方法计算的任意振动n和转动l量子数的能态进行了比较。
We investigate the nonrelativistic magnetic effect on the energy spectra, expectation values of some quantum mechanical observables and diamagnetic susceptibility for some diatomic molecules bounded by the Isotropic oscillator plus inverse quadratic potential. The energy eigenvalues and normalized wavefunctions are obtained via parametric Nikiforov-Uvarov method. The expectation values square of position r2, square of momentum p2, kinetic energy T and potential energy V are obtained by applying Hellmann-Feynman theorem and an expression for the diamagnetic susceptibility X is also derived. Usi…
We study the classical chaos appearing in a diatomic molecules $BeO$, $CO$ and $CN$ due to the interaction with a circularly polarized electric field, and its signature in Quantum Mechanics through the Wigner distribution function and the Boltzmann-Shannon entropy. We found a motion out of the center of the quantum phase space defined by Wigner function when the classical system becomes chaotic, and we found a jumping behavior of the average Boltzmann-Shannon entropy with respect the electric field strength when the classical system becomes chaotic, indicating a sudden increasing in the disord…
The energy levels of the Schrödinger equation under the Eckart-Hellmann potential (EHP) energy function are studied by the Nikiforov-Uvarov-Functional Analysis (NUFA) method. We obtained the analytic solution of the energy spectra and the wave function in closed form with the help of Greene-Aldrich approximation. The numerical bound states energy for various screening parameters at different quantum states and vibrational energies of EHP for CuLi, TiH, VH, and TiC diatomic molecules were computed. Four particular cases of this potential were achieved. To test the accuracy of our results, we co…
We explore the electronic structure of ultralong-range pentaatomic Rydberg molecules from a merger of a Rydberg atom and two ground state heteronuclear diatomic molecules. Our focus is on the interaction of Rb($23s$) and Rb($n=20$, $l\ge 3$) Rydberg states with ground and rotationally excited KRb diatomic polar molecules. For symmetric and asymmetric configurations of the pentaatomic Rydberg molecule, we investigate the metamorphosis of the Born-Oppenheimer potential curves, essential for the binding of the molecule, with varying distance from the Rydberg core and analyze the alignment and ori…
We present arguments demonstrating that the application of the Nikiforov-Uvarov polynomial method to solve the Schrödinger equation with the Tietz-Hua potential is valid only when $e^{-b_{h}r_{e}}\leq c_{h}<1$ and $r_{0}<r<+\infty $. In particular, it is pointed out that the numerical results with $c_{h}\neq 0$ for the diatomic molecules $\mathrm{HF}$, $\mathrm{N}_{2}$, $\mathrm{I}_{2}$, $\mathrm{H}_{2}$, $\mathrm{O}_{2}$ and $\mathrm{O}_{2}^{+}$ given in Tables 3-5 by Hamzavi and co-workers are wrong. When $-1\leq c_{h}<0$ or $0<c_{h}<e^{-b_{h}r_{e}}$, this approach is not suitable. In both c…
Confinement effects of Aharonov-Bohm (AB) flux and magnetic fields with topological defect on CO diatomic molecule modeled by screened modified Kratzer potential is investigated in this paper. The all-encompassing effects of the fields and topological defect result in a strongly repulsive system. We discover that the collective effect of the fields and defect is intense than the lone and dual effect and consequently there is a substantial shift in the bound state energy of the system. We also find that to sustain a low-energy medium for the molecule modeled by SMKP, the topological defect and …
Within the framework of non-relativistic quantum mechanics, the ro-vibrational energy spectra of the improved deformed exponential-type potential model are obtained using the Greene-Aldrich approximation scheme and an appropriate coordinate transformation. With the help of the energy spectra, analytical expressions of the vibrational partition function and other thermodynamic functions are derived by employing the Poisson summation formula. These thermodynamic functions are studied for the electronic states of hydrogen dimer, carbon monoxide, nitrogen dimer and lithium hydride diatomic molecul…
The interaction between vortex beam (VB) and molecule has drawn much attention in recent years, but the lack of theoretical method somehow limits its further analysis, especially when the molecular rotational degree of freedom is involved and coupled with the molecular electronic states. To incorporate the molecular rotation into the theoretical study, in this paper, we describe the diatomic molecular states in Hund's coupling basis and express interaction Hamiltonian in form of spherical harmonics expansion, and then investigate the rotational transition of molecular states driven by VB. The …
The elastic scattering of twisted electrons by diatomic molecules is studied within the framework of the non-relativistic first Born approximation. In this process, the coherent interaction of incident electrons with two molecular centers may cause interference patterns in the angular distributions of outgoing particles. We investigate how this Young-type interference is influenced by the complex internal structure of twisted beams. In particular, we show that the corkscrew-like phase front and the inhomogeneous intensity profile of the incident beam can strongly modify the angular distributio…
