Related papers: Parameterized optimized effective potential for th…
The interactions between charge and orbitally ordered $d$-electrons are important in many transition metal oxides. We propose an effective energy model for such interactions, parameterized with DFT+U calculations, so that energy…
This article proposes a new approach based on finite-horizon parameterizing manifolds (PMs) for the design of low-dimensional suboptimal controllers to optimal control problems of nonlinear partial differential equations (PDEs) of parabolic…
We calculate ground-state energies and densities of a helium atom confined in an impenetrable spherical box within density functional theory. These calculations are performed by variationally solving Kohn-Sham equation with the ground-state…
A general procedure is presented how to improve the effective potential by using the renormalization group equation (RGE) in MS bar scheme. If one knows the L-loop effective potential and the RGE coefficient functions up to (L+1)-loop…
The concept of potential energy landscapes is applied in many areas of science. We experimentally realize a random potential energy landscape (rPEL) to which colloids are exposed. This is achieved exploiting the interaction of matter with…
Within the context of Born-Infeld (BI) nonlinear electrodynamics (NED) we revisit the non-relativistic, spinless H-atom. The pair potential computed from the Born-Infeld equations is approximated by the Morse type potential with remarkable…
The method for calculating the ground-state energy and the optical conductivity spectra is developed for a system of a finite number of interacting arbitrary-coupling polarons in a spherical quantum dot with a parabolic confinement…
The new definition of the energy dependence for the level density parameter including collective effects depends strongly on the semi-classical approach. For this method, defining an accurate single-particle potential is of great…
The study of self-gravitating stellar systems has provided important hints to develop tools of analytical mechanics. In the present contribution we review how to exploit detuned resonant normal forms to extract information on several…
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…
Multiple energy minima of the LDA+U energy functional are obtained for $\gamma$-Ce when it is implemented in a full potential, rotationally invariant scheme including spin-orbit coupling, and different starting local configurations are…
Thirty elastic scattering angular distributions for seven heavy-ion systems, in wide energy ranges, have been studied with the aim of systematizing the optical potential, real and imaginary parts, in a global way. The framework is: i) an…
The oscillator representation method is presented and used to calculate the energy spectra for a superposition of Coulomb and power-law potentials and for Coulomb and Yukawa potentials. The method provides an efficient way to obtain…
Electron orbits are calculated in solitary two-dimensional axisymmetric electrostatic potential structures, typical of plasma electron holes, in order to establish the conditions for the particles to remain trapped. Analytic calculations of…
We propose simple analytic, non-orthogonal but selectively orthogonalizable, generalized Laguerre type atomic orbitals, providing clear physical interpretation and near equivalent accuracy with numerical multi-configuration self-consistent…
In non-relativistic Brueckner calculations of nuclear matter, the self-consistent single particle potential is strongly momentum dependent. To simplify the calculations, a parabolic approximation is often used in the literature. The…
The Slater-type orbital basis with non-integer principal quantum numbers is a physically and mathematically motivated choice for molecular electronic structure calculations in both non-relativistic and relativistic theory. The…
We describe some properties of nuclear ground states using a microscopic Vlasov approach. We propose a new method to find the energy minimum of the system enforcing the fermionic nature of the system. Calculations are performed for two…
Highly accurate closed-form approximations are given for the ground state and first excited state wavefunctions and energies for a nonrelativistic particle in a one-dimensional double square well potential with a square barrier in between…
We calculate accurate potential energy curves for a ground-state He$^+$ ion interacting with a He atom in the lowest-energy metastable $^3\!S$ electronic state. We employ the full configuration interaction method, equivalent to exact…