Relativistic formulas for the electric quadrupole moment of a hydrogenlike atom, induced by the hyperfine interaction, are derived for ns and np1/2 states. Both the magnetic dipole and electric quadrupole hyperfine interactions are taken into account. The formulas are valid for ions with arbitrary nuclear charge and spin. The induced quadrupole moment is compared with the nuclear quadrupole mom...

Relativistic formulas for the electric quadrupole moment of a hydrogenlike atom, induced by the hyperfine interaction, are derived for ns and np1/2 states. Both the magnetic dipole and electric quadrupole hyperfine interactions are taken into account. The formulas are valid for ions with arbitrary nuclear charge and spin. The induced quadrupole moment is compared with the nuclear quadrupole mom...

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 ...

The nuclear quadrupole moment for (197)Au has been determined on the base of the state-of-art relativistic molecular calculations. The experimental shifts in the nuclear coupling constants in the series of molecules AuF, XeAuF, KrAuF, ArAuF, (OC)AuF, and AuH have been combined with highly accurate determinations of the electric field gradient (EFG) at the gold nucleus, obtained by molecular rel...

The existence of a nuclear electric octupole moment (EOM) requires both parity and time invariance violation. The EOMs of odd Z nuclei that are induced by a particular Tand P-odd interaction are calculated. We compare such octupole moments with the collective EOMs that can occur in nuclei having a static octupole deformation. A nuclear EOM can induce a parity and time invariance violating atomi...

the electric quadrupole, hexadecapole moments, energy (kjmol -1) for some armchair polyhex carbon nanotubes tuvc6[2p,q] are performed by beck-lee-yang-parr [b3lyp] on 3-21g basis set using the standard procedure indices gaussian 98, then the padmakar-ivan (pi) index of tuvc6[2p,q] nanotubes in the terms of their circumference (2p) and lengh (q) is calculated and the relationships between the pa...