The nuclear quadrupole moment of In has been determined by combining the experimental nuclear quadrupole coupling constants and electric field gradients, calculated at the four-component CCSD~T! level of theory, of four indium halides. Our recommended value for the nuclear quadrupole moment of In is 770~8! millibarn. A basis set study at the Dirac–Hartree–Fock level shows a slow convergence of ...

stability of the π-π stacking interactions in the ben||substituted-coronene and hfben||substituted-coronene complexes was studied using the computational quantum chemistry methods (where ben and hfben are benzene and hexaflourobenzene, || denotes π-π stacking interaction, substituted-coronene is coronene molecule which substituted with four x groups, and x= nh2, ch3, oh, h, f, cf3, cn and no). ...

The effect of relativity on the properties of the interhalogens ClF, BrF, BrCl, IF, IBr, and IBr is studied by comparing relativistic and nonrelativistic calculations. Bond lengths, harmonic frequencies, and dissociation energies show that the bond is weakened in the relativistic formalism. Relativity increases the electric dipole moment whereas the electric quadrupole moment and dipole polariz...

We show that spin anisotropy can be transferred to an isotropic system by transport of a spin-quadrupole moment. We derive the quadrupole moment current and continuity equation and study a spin-valve structure consisting of two ferromagnets coupled to a quantum dot probing an impurity spin. The quadrupole backaction on their coupled spin results in spin torques and anisotropic spin relaxation w...

A rotating star’s oblateness creates a deformation in the gravitational field outside the star, which is measured by the quadrupole-moment tensor. We consider the effect of the quadrupole moment on the orbital motion and rate of inspiral of a compact binary system, composed of neutron stars and/or black holes. We find that in the case of circular orbits, the quadrupole-monopole interaction affe...