Related papers: Complexity in atoms: an approach with a new analyt…
Asymmetric nuclear matter is treated in the formalism of Dirac-Brueckner approach with Bonn one-boson-exchange nucleon-nucleon interaction. We extract the symmetry energy coefficient at the saturation to be about 31 MeV, which is in good…
Nonadiabatic corrections in molecules composed of a few atoms are considered. It is demonstrated that a systematic perturbative expansion around the adiabatic solution is possible, with the expansion parameter being the electron-nucleus…
Electrons in materials containing heavy elements are fundamentally relativistic and should in principle be described using the Dirac equation. However, the current standard for treatment of electrons in such materials involves density…
The new scheme employed (throughout the thermodynamic phase space), in the statistical thermodynamic investigation of classical systems, is extended to quantum systems. Quantum Nearest Neighbor Probability Density Functions are formulated…
A system of interacting atoms is represented as an union of two subsystems, one of which is the system of atoms, and the other is an auxiliary scalar covariant field, which is equivalent to a given static interatomic potential of general…
Nuclear density functional theory (DFT) is one of the main theoretical tools used to study the properties of heavy and superheavy elements, or to describe the structure of nuclei far from stability. While on-going efforts seek to better…
Atomic data are an important source of systematic uncertainty in our determinations of nebular chemical abundances. However, we do not have good estimates of these uncertainties since it is very difficult to assess the accuracy of the…
New constraints for the nuclear equation of state at suprasaturation densities have been obtained by measuring collective particle flows in heavy-ion reactions at relativistic energies. Ratios and differences of neutron and hydrogen flows…
Statistical systems composed of atoms interacting with each other trough nonintegrable interaction potentials are considered. Examples of these potentials are hard-core potentials and long-range potentials, for instance, the Lennard-Jones…
An extremely easy method for accurately calculating the adiabatic connection of density functional theory is presented, and its accuracy tested on both Hooke's atom and the He atom. The method is easy because calculations are needed only…
A realistic interpretation of Schroedinger and Dirac equations for density matrices is proposed, in which the difference between the position arguments of the density matrix is considered as an objective extra space dimension. "Particle"…
The average energy curvature as a function of the particle number is a molecule-specific quantity, which measures the deviation of a given functional from the exact conditions of density functional theory (DFT). Related to the lack of…
The atomic lensing model has been proposed as a promising method facilitating atom-counting in heterogeneous nanocrystals [KHW van den Bos et. al, Phys. Rev. Lett. 116 (2016) 246101] Here, image simulations will validate the model, which…
The Colle and Salvetti approach [Theoret. Chim. Acta, 37, 329 (1975)] to the calculation of the correlation energy of a system is modified in order to explicitly include into the theory the kinetic contribution to the correlation energy.…
We derive an exact representation of the exchange-correlation energy within density functional theory (DFT) which spawns a class of approximations leading to correct long-range asymptotic behavior. In what amounts to be the simplest…
Large atomic-orbital (AO) basis sets of at least triple and preferably quadruple-zeta (QZ) size are required to adequately converge Kohn-Sham density functional theory (DFT) calculations towards the complete basis set limit. However,…
Nuclear Density Functional Theory (DFT) plays a prominent role in the understanding of nuclear structure, being the approach with the widest range of applications. Hohenberg and Kohn theorems warrant the existence of a nuclear Energy…
Energy for a nucleus is considered in macroscopic limit, in terms of nucleon numbers. Further considered for a nuclear system is the Hohenberg-Kohn energy functional, in terms of proton and neutron densities. Finally, Skyrme-Hartree-Fock…
Position and momentum information measures are evaluated for the ground state of the \emph{relativistic} hydrogen-like atoms. Consequences of the fact that the radial momentum operator is not self-adjoint are explicitly studied, exhibiting…
The neutron spin-orbit density contributes to the nuclear charge density as a relativistic effect. The contribution is enhanced by the effective mass stemming from the Lorentz-scalar potential in relativistic models. This enhancement…