Related papers: Numerical solution of the radial Dirac equation in…
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…
By using an ansatz for the eigenfunction, we have obtained the exact analytical solutions of the radial Schrodinger equation for the pseudoharmonic and Kratzer potentials in two dimensions. The energy levels of all the bound states are…
We obtain the energy eigenvalues and radial wave functions of the D-Dimensional Dirac equation in the case of spin symmetry for Woods-Saxon potential in minimal length formalism. The radial part of the D-Dimensional Dirac equation is solved…
We open out one of incorrect solutions of the Driac equation in the Coulomb field given in a published paper. By introducing a transformation of function, the paper transformed the original radial first-order Dirac-Coulomb equation into two…
We study the Dirac equation in a spacetime that represents the nonlinear superposition of the Schwarzchild solution to an external, stationary electromagnetic Berttoti-Robinson solution. We separate the Dirac equation into radial and…
We apply the asymptotic iteration method (AIM) to obtain the solutions of Schrodinger equation in the presence of Poschl-Teller (PT) potential. We also obtain the solutions of Dirac equation for the same potential under the condition of…
A robust and general solver for the radial Schr\"odinger, Dirac, and Kohn--Sham equations is presented. The formulation admits general potentials and meshes: uniform, exponential, or other defined by nodal distribution and derivative…
Density-potential functional theory (DPFT) is an alternative formulation of orbital-free density functional theory that may be suitable for modeling the electronic structure of large systems. To date, DPFT has been applied mainly to quantum…
In this paper, we show how to calculate analytical atomic forces within self-consistent density functional theory + dynamical mean-field theory (DFT+DMFT) approach in the case when ultra-soft or norm-conserving pseudopotentials are used. We…
In this chapter we focus first on the theoretical methods and relevant computational approaches to calculate the electronic structure of atoms, molecules, and clusters containing heavy elements for which relativistic effects become…
We survey approaches to nonrelativistic density functional theory (DFT) for nuclei using progress toward ab initio DFT for Coulomb systems as a guide. Ab initio DFT starts with a microscopic Hamiltonian and is naturally formulated using…
New exact analytical bound-state solutions of the radial Dirac equation in 3+1 dimensions for two sets of couplings and radial potential functions are obtained via mapping onto the nonrelativistic bound-state solutions of the…
Orbital-free density functional theory (OF-DFT) runs at low computational cost that scales linearly with the number of simulated atoms, making it suitable for large-scale material simulations. It is generally considered that OF-DFT strictly…
The Dirac equation for an electron in an external electromagnetic field can be regarded as a singular set of linear equations for the vector potential. Radford's method of algebraically solving for the vector potential is reviewed, with…
A computational method is proposed to calculate bound and resonant states by solving the Klein-Gordon and Dirac equations for real and complex energies, respectively. The method is an extension of a non-relativistic one, where the potential…
We compare two different solutions of the Dirac equation in (1+1) dimensions. One solution is for a fermion in the presence of an electric potential and the other is for a fermion in the presence of a pseudoscalar potential. It is shown…
We consider a Dirac electron in the presence of an exponentially decaying magnetic field. We obtain exact energy eigenvalues with a zero-energy state and the corresponding eigenfunctions. We also calculate the probability density and…
Employing a limiting case of a conjecture for constructing piecewise separable-variables functions, the elements of the Pseudoanalytic Function Theory are used for numerically approaching solutions of the forward Dirichlet boundary value…
Density functional theory (DFT) has emerged as one of the most versatile and lucrative approaches in electronic structure calculations of many-electron systems in past four decades. Here we give an account of the development of a…
The density functional theory (DFT) in electronic structure calculations can be formulated as either a nonlinear eigenvalue or direct minimization problem. The most widely used approach for solving the former is the so-called…