Related papers: Development of a Kohn-Sham like potential in the S…
Quantum field model of unstable particles with random mass is suggested to describe the finite-width effects in decay rate. Within the framework of this model we derive the convolution formula for a width of the channels with unstable…
The Gordian knot of density-functional theories for classical molecular liquids remains finding an accurate free-energy functional in terms of the densities of the atomic sites of the molecules. Following Kohn and Sham, we show how to solve…
Most physical systems, whether classical or quantum mechanical, exhibit spherical symmetry. Angular momentum, denoted as $\ell$, is a conserved quantity that appears in the centrifugal potential when a particle moves under the influence of…
A relativistic microscopic optical model potential for nucleon-nucleus scattering is developed based on the \emph{ab initio} relativistic Brueckner-Hartree-Fock (RBHF) theory with the improved local density approximation, which is…
Recently, we have proposed the adaptive local basis set for electronic structure calculations based on Kohn-Sham density functional theory in a pseudopotential framework. The adaptive local basis set is efficient and systematically…
Nuclear mean-field models are briefly reviewed to illustrate its foundation and necessity of state dependence in effective interactions. This state dependence is successfully taken into account by the density dependence, leading to the…
Obtaining general relations between macroscopic properties of random assemblies, such as density, and the microscopic properties of their constituent particles, such as shape, is a foundational challenge in the study of amorphous materials.…
We investigate connections between the continuum and atomistic descriptions of deformable crystals, using certain interesting results from number theory. The energy of a deformed crystal is calculated in the context of a lattice model with…
Spherical density functional theory (DFT) is a reformulation of the classic theorems of DFT, in which the role of the total density of a many-electron system is replaced by a set of sphericalized densities, constructed by…
It is possible in principle to probe the many--atom potential surface using density functional theory (DFT). This will allow us to apply DFT to the Hamiltonian formulation of atomic motion in monatomic liquids [\textit{Phys. Rev. E} {\bf…
Spectrum and eigenfunctions in the momentum representation for 1D Coulomb potential with deformed Heisenberg algebra leading to minimal length are found exactly. It is shown that correction due to the deformation is proportional to square…
Deep neural networks (DNNs) have been used to successfully predict molecular properties calculated based on the Kohn--Sham density functional theory (KS-DFT). Although this prediction is fast and accurate, we believe that a DNN model for…
In the distributed nucleus approximation we represent the singular nucleus as smeared over a smallportion of a Cartesian grid. Delocalizing the nucleus allows us to solve the Poisson equation for theoverall electrostatic potential using a…
One of the most important open challenges in modern Kohn-Sham (KS) density-functional theory (DFT) is the correct treatment of fractional electron charges and spins. Approximate exchange-correlation (XC) functionals struggle to do this in a…
A relation between the deformed Hulth\'en potential and the Eckart one is used to write the bound-state wavefunctions of the former in terms of Jacobi polynomials and to calculate their normalization coefficients. The shape invariance…
The Hohenberg-Kohn theorem and Kohn-Sham procedure are extended to functionals of the localized intrinsic density of a self-bound system such as a nucleus. After defining the intrinsic-density functional, we modify the usual Kohn-Sham…
We briefly summarize the kernel regression approach, as used recently in materials modelling, to fitting functions, particularly potential energy surfaces, and highlight how the linear algebra framework can be used to both predict and train…
In this manuscript, we present analytical solution of the Klein-Gordon equation with the multi-parameter q-deformed Woods-Saxon type potential energy under the spin symmetric limit in $(1+1)$ dimension. In the scattering case, we obtain the…
The calculation of the optical properties of hot dense plasmas with a model that has self-consistent plasma physics is a grand challenge for high energy density science. Here we exploit a recently developed electronic structure model that…
The drastically expanded use of the Woods-Saxon potential in modern day nuclear physics and the availability of new nuclear data motivated us to review and optimize the parameters of this potential to the experimental single-nucleon spectra…