Related papers: Exact-exchange density functional theory for neutr…
The Random Phase Approximation (RPA) for total energies has previously been shown to provide a qualitatively correct description of static correlation in molecular systems, where density functional theory (DFT) with local functionals are…
The understanding of the interaction of nucleons in nuclear and neutron-rich matter at non-zero temperature is important for a variety of applications ranging from heavy-ion collisions to nuclear astrophysics. In this paper we apply the…
Microscopic calculations based on realistic nuclear hamiltonians, while yielding accurate results for the energies of the ground and low-lying excited states of nuclei with $A \leq 12$, fail to reproduce the empirical equilibrium properties…
We study the nuclear ($A$) dependence of the European Muon Collaboration (EMC) effect at high values of $x$ ($x \geq 0.6$). Our approach makes use of conventional nuclear degrees of freedom within the Relativistic Impulse Approximation. By…
In this paper we present an accurate numerical scheme for extracting inter-atomic exchange parameters ($J_{ij}$) of strongly correlated systems, based on first-principles full-potential electronic structure theory. The electronic structure…
We develop a model of off-mass-shell pairing correlations in nuclear systems, which is based on the meson-exchange picture of nuclear interactions. The temporal retardations in the model are generated by the Fock-exchange diagrams. The…
We show a relationship between elastic electron scattering observables and the elastic neutrino cross section that provides a straightforward determination of the latter from experimental data of the former and relates their uncertainties.…
Hybrid density functional theory (DFT) remains intractable for large periodic systems due to the demanding computational cost of exact exchange. We apply the tensor hypercontraction (THC) (or interpolative separable density fitting)…
A general approach to calculate the diabatic surfaces for electron-transfer reactions is presented, based on first-principles molecular dynamics of the active centers and their surrounding medium. The excitation energy corresponding to the…
Guiding by the relativistic local density approximation, we explore a phenomenological formula for the coupling strength of Coulomb field to take into account the Coulomb exchange term effectively in the relativistic Hartree approximation.…
We investigate the behavior of the kinetic and the exchange energy densities near the nuclear cusp of atomic systems. Considering hydrogenic orbitals, we derive analytical expressions near the nucleus, for single shells, as well as in the…
We compare the behavior of the finite-temperature Hartree-Fock model with that of thermal density functional theory using both ground-state and temperature-dependent approximate exchange functionals. The test system is bcc Li in the…
The increasing interest in the Mueller density-matrix-functional theory has led us to a systematic mathematical investigation of its properties. This functional is similar to the Hartree-Fock functional, but with a modified exchange term in…
The discrete energy-eigenvalues of two nucleons interacting with a finite-range nuclear force and confined to a harmonic potential are used to numerically reconstruct the free-space scattering phase shifts. The extracted phase shifts are…
A Hartree--Fock analysis of the ground-state electronic structure of the finite spherical jellium model is carried out for systems containing up to $520$ electrons in a positive background field with densities ranging from $10^{-3}$ to $1$.…
In this paper we begin the development of a formalism for the description of high energy neutrino interactions. It is based upon field theory quantized on a null plane. We set up the general formalism as well as some techniques needed to…
A density functional theory is proposed for strongly interacting fermions with arbitrary large negative scattering length. The functional has only two parameters that are directly fixed to reproduce the universal properties of unitary gas:…
The tensor-force effects on the evolution of the spin-orbit splittings in the neutron drops are investigated within the framework of the relativistic Hartree-Fock theory. For fair comparisons on the pure mean-field level, the results of the…
We introduce a new class of effective interactions to be used within the energy-density-functional approaches. They are based on regularized zero-range interactions and constitute a consistent application of the effective-theory methodology…
Exchange interaction strongly influences the long-range behaviour of localised electron orbitals. It violates the oscillation theorem (creates extra nodes) and produces a power-law decay instead of the usual exponential decrease at large…