Related papers: Solutions to some Molecular Potentials in D-Dimens…
A novel embedded atom method (EAM) potential for the Xi-phases of Al-Pd-Mn has been determined with the force-matching method. Different combinations of analytic functions were tested for the pair and transfer part. The best results are…
We investigate the propagation of electromagnetic waves in transverse magnetic (TM) mode through the structure of materials interface that have permittivity or permeability profile graded positive-negative using asymptotic iteration method…
Intrusive uncertainty quantification methods for hyperbolic problems exhibit spurious oscillations at shocks, which leads to a significant reduction of the overall approximation quality. Furthermore, a challenging task is to preserve…
In this paper, we solve the D-dimensional Schr\"odinger equation with hyperbolic Poschl-Teller potential plus a generalized ring-shaped potential. After the separation of variable in the hyperspherical coordinate. We used Nikiforov-Uvarov…
Approximate analytical solutions of the Dirac equation are obtained for some diatomic molecular potentials plus a tensor interaction with spin and pseudospin symmetries with any angular momentum. We find the energy eigenvalue equations in…
The one-dimensional Schr\"odinger equation with symmetric trigonometric double-well potential is exactly solved via angular prolate spheroidal function. Although it is inferior compared with multidimensional counterparts and its limitations…
This paper introduces an active learning approach to the fitting of machine learning interatomic potentials. Our approach is based on the D-optimality criterion for selecting atomic configurations on which the potential is fitted. It is…
The Schr\"{o}dinger equation in $D$-dimensions for the Manning-Rosen potential with the centrifugal term is solved approximately to obtain bound states eigensolutions (eigenvalues and eigenfunctions). The Nikiforov-Uvarov(NU) method is used…
Making an ansatz to the wave function, the exact solutions of the $D$% -dimensional radial Schrodinger equation with some molecular potentials like pseudoharmonic and modified Kratzer potentials are obtained. The restriction on the…
The Schroedinger equation with one and two dimensional potentials are solved in the frame work of the sl(2) Lie algebra. Eigenfunctions of the Schroedinger equation for various asymmetric double-well potentials have been determined and the…
Solving for the bound state eigenvalues of the Schr\"odinger equation is a tedious iterative process when the conventional shooting or matching method is used. In this work, we bypass the eigenvalue's dependence on the eigenfunction by…
Analytic and approximate solutions for the energy eigenvalues generated by the hyperbolic potentials $V_m(x)=-U_0\sinh^{2m}(x/d)/\cosh^{2m+2}(x/d),\,m=0,1,2,\dots$ are constructed. A byproduct of this work is the construction of polynomial…
Atom-atom scattering of bosonic one-dimensional (1D) atoms has been modeled successfully using a zero-range delta-function potential, while that of bosonic 3D atoms has been modeled successfully using Fermi-Huang's regularized s-wave…
The Schr\"odinger eigenvalue problem is solved with the imaginary time propagation technique. The separability of the Hamiltonian makes the problem suitable for the application of splitting methods. High order fractional time steps of order…
Years ago S. Weinberg suggested the "Quasi-Particle" method (Q-P) for iteratively solving an integral equation, based on an expansion in terms of sturmian functions that are eigenfunctions of the integral kernel. An improvement of this…
Molecular rotation, vibration, internal rotation, isomerization, tunneling, intermolecular dynamics of weakly and strongly interacting systems, intra-to-inter-molecular energy transfer, hindered rotation and hindered translation over…
This paper presents analytical solutions for eigenvalues and eigenfunctions of the Schr\"odinger equation in higher dimensions, incorporating the Dunkl operator. Two fundamental quantum mechanical problems are examined in their exact forms:…
We use variable transformation from the real line to finite or semi-infinite spaces where we expand the regular solution of the 1D time-independent Schrodinger equation in terms of square integrable bases. We also require that the basis…
In this work, a recently developed novel solution of the famous "Sommerfeld Radiation Problem" is revisited. The solution is based on an analysis performed entirely in the spectral domain, through which a compact asymptotic formula…
We describe a simplified approach to simulating Raman spectra using ab initio molecular dynamics (AIMD) calculations. Our protocol relies on on-the-fly calculations of approximate molecular polarizabilities using a sum over orbitals (as…