Related papers: Spatial contributions to nuclear magnetic shieldin…
We perform a calculation of the nuclear magnetic shielding in HD and HT molecules, with complete and perturbative accounts for nuclear masses. From the difference in shielding, we obtain the deuteron and triton magnetic moments in agreement…
We report an ab initio calculation of the shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions. This investigation takes into account several effects that have not been calculated before (electron…
We present a simple derivation of the nuclear shielding in paramagnetic molecules, extendable to strong spin-orbit coupling cases of relevance to lanthanides and actinides, as well as encompassing contributions from excited multiplets.…
Using the quark-meson coupling model, we calculate the form factors at sigma- and omega-nucleon strong-interaction vertices in nuclear matter. The Peierls-Yoccoz projection technique is used to take account of center of mass and recoil…
We present numerical experiments aimed to study the correlation between the magnetic field strength, $B$, and the density, $n$, in the cold atomic interstellar medium (CNM). We analyze 24 magneto-hydrodynamic models with different initial…
Magnetic field source localization and imaging happen at different scales. The sensing baseline ranges from meter scale such as magnetic anomaly detection, centimeter scale such as brain field imaging to nanometer scale such as the imaging…
The applications of machine learning techniques to chemistry and materials science become more numerous by the day. The main challenge is to devise representations of atomic systems that are at the same time complete and concise, so as to…
A new scheme to study the properties of finite nuclei is proposed based on the Dirac-Brueckner-Hartree-Fock (DBHF) approach starting from a bare nucleon-nucleon interaction. The relativistic structure of the nucleon self-energies in nuclear…
Dirac equation for an electron bound by a nucleus in the presence of external axially symmetric field can be solved numerically by using the dual-kinetic-balance conditions imposed on the finite basis set (A-DKB method [Rozenbaum et al,…
Within the Dirac-Brueckner-Hartree-Fock approach, using the Bonn potentials, we investigate the properties of dense, asymmetric nuclear matter and apply it to neutron stars. In the actual calculations of the nucleon self-energies and the…
We present an implementation of coupled-perturbed complete active space self-consistent field (CP-CASSCF) theory for the computation of nuclear magnetic resonance chemical shifts using gauge-including atomic orbitals and Cholesky decomposed…
Instead of computing magneticallly induced (MI) current densities (CD) via the wave function and their quatum mechanical definition one can also use the differential form of the Amp\`ere-Maxwell law to obtain them from spatial derivatives…
We calculate the carbon nuclear magnetic resonance (NMR) shielding for CO_2 and the hydrogen shieldings for both H_2 and H_2O inside the metal organic framework MOF-74-Mg. Our ab initio calculations are at the density functional theory…
A density dependent, effective nucleon-nucleon force of the Skyrme type is derived from the quark-meson coupling model -- a self-consistent, relativistic quark level description of nuclear matter. This new formulation requires no assumption…
The properties of nuclear matter in the presence of a strong magnetic field, including the density-dependent symmetry energy, the chemical composition and spin polarizations, are investigated in the framework of the relativistic mean field…
Screened potential, modified by non standard electron cloud distributions responsible for the shielding effect on fusion of reacting nuclei in astrophysical plasmas, is derived. The case of clouds with depleted tails in space coordinates is…
The shielding of the nuclear magnetic moment by the bound electron in hydrogen-like ions is calculated ab initio with inclusion of relativistic, nuclear, and quantum electrodynamics (QED) effects. The QED correction is evaluated to all…
A new decomposition of the Dirac structure of nucleon self-energies in the Dirac Brueckner-Hartree-Fock (DBHF) approach is adopted to investigate the equation of state for asymmetric nuclear matter. The effective coupling constants of…
A new alternative approach to calculate the ratio of the surface to volume components of the nuclear symmetry energy is proposed in the framework of the coherent density fluctuation model (CDFM). A new expression (scheme II) for the ratio…
The nucleon separation energies and shell gaps in nuclei over the whole nuclear chart are systematically studied with eight global nuclear mass models. For unmeasured neutron-rich and super-heavy regions, the uncertainty of the predictions…