Related papers: Examining the justification for the introduction o…
Understanding electron localization in molecules and materials plays a central role in electronic structure theory, and will increase in importance with the rise of data-driven approaches. The electron localization function (ELF) is widely…
The Hartree-Fock exchange potential is fundamental for capturing quantum mechanical exchange effects but faces critical challenges in large-scale applications due to its nonlocal and computationally intensive nature. This study introduces a…
The influence of short-range correlations on the momentum and energy distribution of nucleons in nuclei is evaluated assuming a realistic meson-exchange potential for the nucleon-nucleon interaction. Using the Green-function approach the…
The recent progress in the studies of nuclear charge-exchange excitations with localized covariant density functional theory is briefly presented, by taking the fine structure of spin-dipole excitations in 16O as an example. It is shown…
We investigate the presence of spatial localization in nuclei using a method that maps the nucleon same-spin pair probability and is based on the density-matrix. The method is used to study spatial localization of light nuclei within the…
Some of the most spectacular failures of density-functional and Hartree-Fock theories are related to an incorrect description of the so-called static electron correlation. Motivated by recent progress on the N-representability problem of…
We analyze the density functional theory (DFT) description of weak interactions by employing diffusion and reptation quantum Monte Carlo (QMC) calculations, for a set of benzene-molecule complexes. While the binding energies depend…
In the present article, we discuss the role played by the interaction in the Anderson localization problem, for a system of interacting fermions in a one-dimensional disordered lattice, described by the Fermi Hubbard Hamiltonian, in…
A comprehensive description of all single-particle properties associated with the nucleus ${}^{40}$Ca is generated by employing a nonlocal dispersive optical potential capable of simultaneously reproducing all relevant data above and below…
An improved density-matrix expansion is used to calculate the nuclear energy density functional from chiral two- and three-nucleon interactions. The two-body interaction comprises long-range one- and two-pion exchange contributions and a…
Density functional theory is the workhorse of modern electronic structure calculations, with wide-ranging applications in chemistry, physics, materials science, and machine learning. At its heart lies the exchange-correlation functional, a…
Background: An electron localization function was originally introduced to visualize bond structures in molecules. It became a useful tool to describe electron configurations in atoms, molecules and solids. In nuclear physics, a nucleon…
The sub-wavelength localization of an ensemble of atoms concentrated to a small volume in space is investigated. The localization relies on the interaction of the ensemble with a standing wave laser field. The light scattered in the…
Mathematical analysis of the Anderson localization has been facilitated by the use of suitable fractional moments of the Green function. Related methods permit now a readily accessible derivation of a number of physical manifestations of…
We demonstrate how to make rigorous predictions for electroweak matrix elements in nuclear systems directly from QCD. More precisely, we show how to determine the short-distance contributions to low-momentum transfer electroweak matrix…
We test a set of multiconfigurational wavefunction approaches for calculating the ground state electron population for a two-site Anderson model representing a molecule on a metal surface. In particular, we compare (i) a Hartree Fock like…
A mixture of two fermionic species with different masses is studied in an optical lattice. The heavy fermions are subject only to thermal fluctuations, the light fermions also to quantum fluctuations. We derive the Ising-like distribution…
The non-relativistic interacting electron gas in an external field of positively charged massive cores is dealt with in the scheme of second quantization. Ladder operators that change between stationary states of contiguous energy…
We study a one-dimensional quantum system with an arbitrary number of hard-core particles on the lattice, which are subject to a deterministic attractive interaction as well as a random potential. Our choice of interaction is suggested by…
Hartree-Fock atom in a strong electric static field is considered. It is demonstrated that exchange between outer and inner electrons, taken into account by the so-called Fock term affects strongly the long-range behavior of the inner…