相关论文: Response to Comment on Electric Multipole Moments …
Electric dipole moments of diamagnetic atoms of experimental interest are calculated using the relativistic Hartree-Fock and random-phase approximation methods, the many-body perturbation theory and configuration interaction technique. We…
New local "hybrid" functionals proposed by V. V. Karasiev in [J. Chem. Phys. {\bf 118}, 8567 (2003)] are benchmarked against nonlocal hybrid functionals. Their performance is tested on the total and high occupied orbital energies, as well…
The values of nuclear electric quadrupole moment are different by about 7% for 87Sr nucleus between the recommended value [N. J. Stone, At. Data Nucl. Data Tables 111-112, 1 (2016); P. Pyykko, Mol. Phys. 116, 1328 (2018)] and earlier…
Electric quadrupole moments of the metastable nd3/2 and nd5/2 states of Ca+, Sr+, and Ba+ are calculated using the relativistic all-order method including all single, double, and partial triple excitations of the Dirac-Hartree-Fock wave…
We demonstrate explicitly that some recent calculations of atomic electric dipole moments (EDM) are incomplete. A contribution overlooked therein is pointed out. When included, it cancels exactly the result of those calculations, and thus…
We analyze a recent treatment of the interaction of a magnetic quadrupole moment with a radial electric field for a non-relativistic particle in a rotating frame and show that the derivation of the equations in the paper is anything but…
We calculate the A and B hyperfine constants for the low-lying states of 229Th3+ using a high-precision relativistic all-order approach. By combining these calculations with measurements of the 6d and 5f hyperfine constants [C. J. Campbell…
The expression for polarized electric dipole moment of well-deformed reflection asymmetric nuclei is obtained in the framework of liquid-drop model in the case of geometrically similar proton and neutron surfaces. The expression for…
This article is a thorough critique to the Plakhutin-Davidson's comments made to our paper published in the recent year. A detailed critical examination of the arguments that led to the suggested comments by Plakhutin and Davidson reveals…
We reply to the comment [M. Denis, T. Fleig, arXiv:1605.03091v1 (2016)] on paper [L.V. Skripnikov and A.V. Titov, J. Chem. Phys. 142, 024301 (2015)].
Nuclear-spin-dependent (NSD) parity violating effects are studied for a number of diatomic molecules using relativistic Hartree-Fock and density functional theory and accounting for core polarization effects. Heavy diatomic molecules are…
Multipoles are paramount for describing electromagnetic fields in many areas of nanoscale optics, playing an essential role for the design of devices in plasmonics and all-dielectric nanophotonics. Challenging the traditional division into…
We present a model which describes the properties of odd-even nuclei with one nucleon more, or less, with respect to the magic number. In addition to the effects related to the unpaired nucleon, we consider those produced by the excitation…
Fully numerical mesh solutions of 2D quantum equations of Schroedinger and Hartree-Fock type allow us to work with wavefunctions which possess a very flexible geometry. This flexibility is especially important for calculations of atoms and…
Relativistic formulas for the electric quadrupole moment of a hydrogenlike atom, induced by the hyperfine interaction, are derived for $ns_{1/2}$ and $np_{1/2}$ states. Both the magnetic dipole and electric quadrupole hyperfine interactions…
Within nuclear DFT, we calculated spectroscopic magnetic dipole and electric quadrupole moments for various quasiparticle configurations of odd-$N$, even-$Z$, $83\leq{}N\leq125$ nuclei ranging from gadolinium to osmium. By tagging the…
Molecular dipole moments of analytic density-functional theory are investigated. The effect of element-dependent exchange potentials on these moments are examined by comparison with conventional quantum-chemical methods and experiment for…
In their recent paper, Kholmetskii, Missevitch, and Yarman "reanalyze the usual classical derivation of spin-orbit coupling in hydrogenlike atoms" and find a result "in qualitative agreement with the solution of the Dirac-Coulomb equation…
Electric multipole moments are the most fundamental properties of insulating materials. However, the general formulation of bulk multipoles has been a long standing problem. The solution for the electric dipole moment was provided decades…
We perform the four-body calculation of the hyperfine structure in the first rotational state $J=1$ of the H$_2$, D$_2$, and HD molecules and determine the accurate value for the deuteron electric quadrupole moment $Q_d =…