Related papers: Thermal Properties of Deng-Fan-Eckart Potential mo…
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…
In this paper, the approximate analitical solutions of the hyper-radial Schr\"{o}dinger equation are obtained for the generalized Wood-Saxon potential by implementing the Pekeris approximation to surmount the centrifugal term. The energy…
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…
The energy levels of the Schr\"odinger 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…
We validate the application of our recent orbital-free density functional theory (DFT) approach, [Phys. Rev. Lett. 113, 155006 (2014)], for the calculation of ionic and electronic transport properties of dense plasmas. To this end, we…
In this work, we obtained analytical bound state solution of the Schr\"odinger equation with Manning Rosen plus exponential Yukawa Potential using parametric Nikiforov-Uvarov method (NU). We obtained the normalized wave function in terms of…
The analytic solutions of the spatially-dependent mass Schrodinger equation of diatomic molecules with the centrifugal term l(l+1)/r2 for the generalized q-deformed Morse potential are obtained approximately by means of a parametric…
We solve the Schr\"odinger 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…
The shifted Tietz-Wei (sTW) oscillator is as good as traditional Morse potential in simulating the atomic interaction in diatomic molecules. By using the Pekeris-type approximation to deal with the centrifugal term, we obtain the…
Understanding the properties of warm dense hydrogen is of key importance for the modeling of compact astrophysical objects and to understand and further optimize inertial confinement fusion (ICF) applications. The work horse of warm dense…
Analytical solutions are presented for eigenvalues, eigenfunctions of {\color{red} D-dimensional Schrodinger equation having Eckart potential} within Nikiforov-Uvarov method. This uses a new, improved approximation for centrifugal term,…
The approximate analytical bound state solution of the Schr\"odinger equation for the Manning-Rosen potential is carried out by taking a new approximation scheme to the orbital centrifugal term. The Nikiforov-Uvarov method is used in the…
The Tietz-Hua (TH) potential is one of the very best analytical model potentials for the vibrational energy of diatomic molecules. By using the Nikiforov-Uvarov (NU) method, we have obtained the exact analytical s-wave solutions of the…
In this study, we employ exact quantization rule (EQR) to derive the analytical approximate l-wave solutions of the Schrodinger equation with the general molecular oscillator (GMO). The energy eigenvalues equation and the corresponding wave…
This chapter presents the development of a density functional theory (DFT)-based method for accurate, reliable treatment of various resonances in atoms. Many of these are known to be notorious for their strong correlation, proximity to more…
Density functional theory (DFT) and beyond-DFT methods are often used in combination with photoelectron spectroscopy to obtain physical insights into the electronic structure of molecules and solids. The Kohn-Sham eigenvalues are not…
Using the optimized effective potential method in conjunction with the semi-analytical approximation due to Krieger, Li and Iafrate, we have performed fully self-consistent exact exchange-only density-functional calculations for diatomic…
We solve the Schr\"odinger equation with a position-dependent mass (PDM) charged particle interacted via the superposition of the Morse and Coulomb potentials and exposed to external magnetic and Aharonov-Bohm (AB) flux fields. The…
Stochastic and mixed stochastic-deterministic density functional theory (DFT) are promising new approaches for the calculation of the equation-of-state and transport properties in materials under extreme conditions. In the intermediate warm…
The density functional theory (DFT) interaction energy of a dimer is rigorously derived from the monomer densities. To this end, the supermolecular energy bifunctional is formulated in terms of mutually orthogonal sets of orbitals of the…