Related papers: Atomic Compton profiles within different exchange-…
Density functional theory was used to study the nonmagnetic (NM) and ferromagnetic (FM) phases of face-centered cubic cerium. Functionals of four levels of approximations for the exchange-correlation energy were used: LDA, PBE, LDA/PBE+$U$,…
We make numerical comparison of spectra from angular-momentum projection on Hartree-Fock states with spectra from configuration-interaction nuclear shell-model calculations, all carried out in the same model spaces (in this case the sd,…
A theoretical description for the radial density profile of a finite number of identical charged particles confined in a harmonic trap is developed for application over a wide range of Coulomb coupling (or, equivalently, temperatures) and…
The high volatility of renewable energies calls for more energy efficiency. Thus, different physical systems need to be coupled efficiently although they run on various time scales. Here, the port-Hamiltonian (pH) modeling framework comes…
We compare two different approaches to investigations of many-electron systems. The first is the Hartree-Fock (HF) method and the second is the Density Functional Theory (DFT). Overview of the main features and peculiar properties of the HF…
The Hartree-Fock-Rothaan equations are solved for He-like ions using the iterative self-consistent method. New complete and orthonormal sets of exponential-type orbitals are employed as the basis. These orbitals satisfy the orthonormality…
Configuration interaction (CI) calculations in atoms with two valence electrons, carried out in the V(N-2) Hartree-Fock potential of the core, are corrected for core-valence interactions using many-body perturbation theory (MBPT). Two…
We compute the ground state energy of atoms and quantum dots with a large number N of electrons. Both systems are described by a non-relativistic Hamiltonian of electrons in a d-dimensional space. The electrons interact via the Coulomb…
I give an overview of experimental and theoretical results for antiproton and antihydrogen scattering with atoms and molecules (in particular H, He). At low energies ($\lesssim1$~keV) there are practically no experimental data available.…
The ratios of off-diagonal and diagonal susceptibilities of conserved charges are studied using a hadron resonance gas (HRG) model with an emphasis towards providing a proper baseline for comparison to the corresponding future experimental…
The asymmetric Hubbard dimer is a model that allows for explicit expressions of the Hartree-Fock (HF) and Kohn-Sham (KS) states as analytical functions of the external potential, $\Delta v$, and of the interaction strength, $U$. We use this…
We compute the Compton profile of Ni using the Local Density Approximation of Density Functional Theory supplemented with electronic correlations treated at different levels. The total/magnetic Compton profiles show not only quantitative…
In this article we are going to study the FEM solution to the Density Functional description of Helium. Solving self-consistently including electron-electron repulsion and exchange-correlation effects. This project will be split in four…
The nucleon mean-field potential has been thoroughly investigated in an extended Hartree-Fock (HF) calculation of nuclear matter (NM) using the CDM3Y3 and CDM3Y6 density dependent versions of the M3Y interaction. The single-particle (s/p)…
It is found that, in closed-$l$-subshell atoms, the exact local exchange potential of the density functional theory is very well represented, within the region of every atomic shell, by each of the suitably shifted potentials obtained with…
A means to take advantage of molecular similarity to lower the computational cost of electronic structure theory is proposed, in which parameters are embedded into a low-cost, low-level (LL) ab initio theory and adjusted to obtain agreement…
We consider a recent successful model of leptons as Kerr-Newman type Black Holes in a Quantum Mechanical context. The model leads to a cosmology which predicts an ever expanding accelerating universe with decreasing density and to the…
We find the free-energy in the thermodynamic limit of a one dimensional XY model associated to a system of N qubits. The coupling among the sigma_i^z is a long range two bodies random interaction. The randomness in the couplings is the…
We present the first \emph{ab initio} calculation of elastic Compton scattering from 4He. It is carried out to $\mathcal{O}(e^2 \delta^3)$ [N3LO] in the $\delta$ expansion of $\chi$EFT. At this order and for this target, the only free…
Formulas and expectation values which are need to determine the lowest-order QED corrections ($\sim \alpha^3$) and corresponding recoil (or finite mass) corrections in the two-electron helium-like ions are presented. Other important…