Related papers: Optimized Dirac Woods-Saxon basis for covariant de…
The reduced basis method is used to construct a "universal" basis of Dirac orbitals that may be applicable throughout the nuclear chart to calibrate covariant energy density functionals. Relative to our earlier work using the…
The Woods-Saxon basis has been suggested to replace the widely used harmonic oscillator basis for solving the relativistic mean field (RMF) theory in order to generalize it to study exotic nuclei. As examples, relativistic Hartree theory is…
We reexamine the recently introduced basis-set correction theory based on density-functional theory consisting in correcting the basis-set incompleteness error of wave-function methods using a density functional. We use a one-dimensional…
We study the one-dimensional Dirac equation in the framework of a position dependent mass under the action of a Woods-Saxon external potential. We find that constraining appropriately the mass function it is possible to obtain a solution of…
Approximate scattering and bound state solutions of the one-dimensional effective-mass Dirac equation with the Woods-Saxon potential are obtained in terms of the hypergeometric-type functions. Transmission and reflection coefficients are…
A mixed basis approach based on density functional theory is employed for low dimensional systems. The basis functions are taken to be plane waves for the periodic direction multiplied by B-spline polynomials in the non-periodic direction.…
Background: The isotropic harmonic oscillator supplemented by a strong spin-orbit interaction has been the cornerstone of nuclear structure since its inception more than seven decades ago. In this paper we introduce---or rather…
The selection of basic variables in current-density functional theory and formal properties of the resulting formulations are critically examined. Focus is placed on the extent to which the Hohenberg--Kohn theorem, constrained-search…
The Dirac Equation is solved approximately for relativistic generalized Woods-Saxon potential including Coulomb-like tensor potential in exact pseudospin and spin symmetry limits. The bound states energy eigenvalues are found by using…
We present a density functional scheme for calculating the pair density (PD) by means of the correlated wave function. This scheme is free from both of problems related to PD functional theory, i.e., (a) the need to constrain the…
Density-corrected density functional theory (DC-DFT) is enjoying substantial success in improving semilocal DFT calculations in a wide variety of chemical problems. This paper provides the formal theoretical framework and assumptions for…
Exact solution of the Dirac equation for a special form of the Woods-Saxon potential is obtained for the s-states. The energy eigenvalues and two-component spinor wave functions are derived by using a systematical method which is called as…
Range-separated density-functional theory is an alternative approach to Kohn-Sham density-functional theory. The strategy of range-separated density-functional theory consists in separating the Coulomb electron-electron interaction into…
We study the approximate analytical solutions of the Dirac equation for the generalized Woods-Saxon potential with the pseudo-centrifugal term. In the framework of the spin and pseudospin symmetry concept, the approximately analytical bound…
We derive a time-dependent density functional theory appropriate for calculating the near-edge X-ray absorption spectrum in molecules and condensed matter. The basic assumption is to increase the space of many-body wave functions from one…
A mixed basis approach based on density functional theory is extended to one-dimensional(1D) systems. The basis functions here are taken to be the localized B-splines for the two finite non-periodic dimensions and the plane waves for the…
The exact reduced density-matrix functional is derived from the Luttinger-Ward functional of the single-particle Green's function. Thereby, a formal link is provided between diagrammatic many-body approaches using Green's functions on the…
More recently, comprehensive application results of approximate analytical solutions of the Woods-Saxon potential in closed form for the 5-dimensional Bohr Hamiltonian have been appeared [14] and its comparison to the data for many…
As the second component of SPARC (Simulation Package for Ab-initio Real-space Calculations), we present an accurate and efficient finite-difference formulation and parallel implementation of Density Functional Theory (DFT) for extended…
We solve a singe-particle Dirac equation with Woods-Saxon potentials using an iterative method in the coordinate space representation. By maximizing the expectation value of the inverse of the Dirac Hamiltonian, this method avoids the…